#------------------------------------------------------------------------------
#$Date: 2011-09-10 05:16:28 +0200 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2009078.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2009078
loop_
_publ_author_name
'Shanmuga Sundara Raj, S.'
'Fun, H.-K.'
'Xue, J.'
'Ye, J.-H.'
'Cai, H.'
'Xu, J.-H.'
_publ_section_title
;
 1-Acetyl-2a',3',8',8a'-tetrahydro-3',8'-(diphenylmethylenemethano)spiro[indoline-3,2'-2'<i>H</i>-oxeto[3,2-<i>b</i>]naphthalen]-2-one
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1674
_journal_page_last               1675
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C34 H25 N O3'
_chemical_formula_weight         495.55
_chemical_name_systematic
;
Spiro[1-acetyl-2-oxo-(3H)indole-3,2'-oxeto[3,2-b](10'-diphenylmethylene-
3',4',9',10'-(3'\a,4'\a,9'\a,10'\a)-tetrahedron-4',9'-methanonaphthalene
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.0605(2)
_cell_length_b                   17.87250(10)
_cell_length_c                   31.4066(6)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.20
_cell_measurement_theta_min      2.59
_cell_volume                     5085.79(15)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
;
SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
;
Siemens SMART CCD area detector diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0491
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30518
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2080
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.225
_refine_diff_density_min         -0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5829
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.1306
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0481P)^2^+1.8828P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1581
_reflns_number_gt                3270
_reflns_number_total             5829
_reflns_threshold_expression     'I > 2\s(I)'
_[local]_cod_data_source_file    sk1309.cif
_[local]_cod_data_source_block   chxj1m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2009078
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
N1 0.0839(2) 0.34936(11) -0.00148(7) 0.0563(5) Uani d . 1 N
O1 0.3356(2) 0.32337(13) 0.00267(6) 0.0861(6) Uani d . 1 O
O2 -0.0775(3) 0.31965(13) -0.05401(8) 0.0973(7) Uani d . 1 O
O3 0.34039(18) 0.46135(9) 0.05025(5) 0.0591(5) Uani d . 1 O
C1 0.3519(2) 0.61833(13) 0.14388(8) 0.0518(6) Uani d . 1 C
C2 0.4013(3) 0.66324(16) 0.17661(10) 0.0740(8) Uani d . 1 C
H2A 0.3817 0.6501 0.2047 0.089 Uiso calc R 1 H
C3 0.4804(3) 0.72802(18) 0.16772(11) 0.0896(10) Uani d . 1 C
H3A 0.5136 0.7578 0.1900 0.107 Uiso calc R 1 H
C4 0.5096(3) 0.74832(16) 0.12699(12) 0.0810(9) Uani d . 1 C
H4A 0.5629 0.7917 0.1214 0.097 Uiso calc R 1 H
C5 0.4607(3) 0.70492(17) 0.09421(11) 0.0758(8) Uani d . 1 C
H5A 0.4802 0.7188 0.0662 0.091 Uiso calc R 1 H
C6 0.3820(3) 0.64034(15) 0.10259(9) 0.0655(7) Uani d . 1 C
H6A 0.3488 0.6111 0.0800 0.079 Uiso calc R 1 H
C7 0.2680(3) 0.54742(13) 0.15247(7) 0.0507(6) Uani d . 1 C
C8 0.1244(3) 0.55382(14) 0.17523(8) 0.0523(6) Uani d . 1 C
C9 0.0266(3) 0.61068(15) 0.16442(9) 0.0639(7) Uani d . 1 C
H9A 0.0547 0.6468 0.1447 0.077 Uiso calc R 1 H
C10 -0.1129(3) 0.61398(17) 0.18289(10) 0.0757(8) Uani d . 1 C
H10A -0.1785 0.6514 0.1748 0.091 Uiso calc R 1 H
C11 -0.1540(4) 0.56232(19) 0.21291(11) 0.0822(9) Uani d . 1 C
H11A -0.2475 0.5644 0.2250 0.099 Uiso calc R 1 H
C12 -0.0562(4) 0.50736(18) 0.22506(9) 0.0774(9) Uani d . 1 C
H12A -0.0828 0.4732 0.2460 0.093 Uiso calc R 1 H
C13 0.0815(3) 0.50266(15) 0.20621(8) 0.0620(7) Uani d . 1 C
H13A 0.1461 0.4649 0.2144 0.074 Uiso calc R 1 H
C14 0.3208(2) 0.48263(13) 0.13793(8) 0.0503(6) Uani d . 1 C
C15 0.4735(3) 0.46573(14) 0.11958(8) 0.0544(6) Uani d . 1 C
H15A 0.5389 0.5086 0.1150 0.065 Uiso calc R 1 H
C16 0.5220(3) 0.40904(14) 0.15252(8) 0.0584(7) Uani d . 1 C
C17 0.6575(3) 0.39325(17) 0.16972(9) 0.0722(8) Uani d . 1 C
H17A 0.7415 0.4190 0.1610 0.087 Uiso calc R 1 H
C18 0.6657(4) 0.3379(2) 0.20043(11) 0.0900(10) Uani d . 1 C
H18A 0.7564 0.3269 0.2128 0.108 Uiso calc R 1 H
C19 0.5423(5) 0.29864(19) 0.21303(10) 0.0881(10) Uani d . 1 C
H19A 0.5510 0.2620 0.2339 0.106 Uiso calc R 1 H
C20 0.4041(4) 0.31314(15) 0.19489(9) 0.0720(8) Uani d . 1 C
H20A 0.3213 0.2856 0.2026 0.086 Uiso calc R 1 H
C21 0.3951(3) 0.36949(14) 0.16523(8) 0.0567(6) Uani d . 1 C
C22 0.2668(3) 0.40121(13) 0.13950(7) 0.0523(6) Uani d . 1 C
H22A 0.1673 0.3927 0.1507 0.063 Uiso calc R 1 H
C23 0.2992(2) 0.37165(13) 0.09380(8) 0.0516(6) Uani d . 1 C
H23A 0.3151 0.3175 0.0919 0.062 Uiso calc R 1 H
C24 0.4327(3) 0.41975(14) 0.08037(8) 0.0553(6) Uani d . 1 C
H24A 0.5145 0.3919 0.0675 0.066 Uiso calc R 1 H
C25 0.2220(3) 0.40671(14) 0.05460(8) 0.0539(6) Uani d . 1 C
C26 0.0672(3) 0.43458(13) 0.05375(8) 0.0519(6) Uani d . 1 C
C27 -0.0012(3) 0.48790(15) 0.07849(9) 0.0634(7) Uani d . 1 C
H27A 0.0506 0.5118 0.1001 0.076 Uiso calc R 1 H
C28 -0.1480(3) 0.50575(16) 0.07094(9) 0.0667(7) Uani d . 1 C
H28A -0.1952 0.5411 0.0879 0.080 Uiso calc R 1 H
C29 -0.2232(3) 0.47140(16) 0.03859(9) 0.0664(7) Uani d . 1 C
H29A -0.3209 0.4846 0.0335 0.080 Uiso calc R 1 H
C30 -0.1572(3) 0.41730(16) 0.01324(9) 0.0630(7) Uani d . 1 C
H30A -0.2097 0.3934 -0.0083 0.076 Uiso calc R 1 H
C31 -0.0105(3) 0.39996(13) 0.02106(8) 0.0530(6) Uani d . 1 C
C32 0.2266(3) 0.35374(15) 0.01585(8) 0.0594(7) Uani d . 1 C
C33 0.0438(3) 0.31148(15) -0.03937(9) 0.0676(7) Uani d . 1 C
C34 0.1552(4) 0.26200(19) -0.05966(11) 0.0962(11) Uani d . 1 C
H34A 0.2446 0.2629 -0.0433 0.144 Uiso calc R 1 H
H34B 0.1751 0.2794 -0.0880 0.144 Uiso calc R 1 H
H34C 0.1178 0.2118 -0.0608 0.144 Uiso calc R 1 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
N1 0.0575(13) 0.0567(12) 0.0546(12) -0.0045(10) -0.0051(10) 0.0044(10)
O1 0.0667(13) 0.1174(17) 0.0741(13) 0.0193(12) -0.0038(11) -0.0266(12)
O2 0.0919(16) 0.1000(17) 0.0999(17) 0.0057(13) -0.0361(14) -0.0229(13)
O3 0.0515(10) 0.0650(11) 0.0609(10) -0.0049(8) 0.0012(8) 0.0098(9)
C1 0.0435(13) 0.0488(13) 0.0631(16) -0.0029(11) 0.0010(12) -0.0021(12)
C2 0.0769(19) 0.0740(18) 0.0711(19) -0.0244(16) 0.0156(15) -0.0158(15)
C3 0.092(2) 0.086(2) 0.091(2) -0.0360(19) 0.0257(19) -0.0325(19)
C4 0.0676(19) 0.0567(17) 0.119(3) -0.0141(15) 0.0234(19) -0.0050(18)
C5 0.0735(19) 0.0695(18) 0.084(2) -0.0087(16) 0.0031(17) 0.0189(17)
C6 0.0645(17) 0.0674(17) 0.0645(17) -0.0117(14) -0.0097(14) 0.0085(14)
C7 0.0453(13) 0.0528(14) 0.0540(14) -0.0040(11) -0.0007(11) 0.0023(12)
C8 0.0512(14) 0.0548(14) 0.0507(14) -0.0088(12) 0.0010(11) -0.0098(12)
C9 0.0594(16) 0.0604(16) 0.0718(18) -0.0019(13) 0.0125(14) -0.0077(14)
C10 0.0599(18) 0.076(2) 0.091(2) 0.0030(15) 0.0097(16) -0.0202(18)
C11 0.0649(19) 0.096(2) 0.085(2) -0.0143(19) 0.0237(17) -0.019(2)
C12 0.081(2) 0.088(2) 0.0633(18) -0.0227(18) 0.0178(16) -0.0026(16)
C13 0.0644(17) 0.0690(17) 0.0525(15) -0.0120(14) 0.0018(13) -0.0051(13)
C14 0.0432(13) 0.0519(14) 0.0557(14) -0.0041(11) -0.0010(11) 0.0013(12)
C15 0.0431(13) 0.0530(14) 0.0672(16) -0.0029(11) 0.0010(12) -0.0010(12)
C16 0.0557(15) 0.0590(15) 0.0606(16) 0.0052(13) -0.0067(13) -0.0128(13)
C17 0.0626(17) 0.082(2) 0.0724(19) 0.0149(15) -0.0140(15) -0.0168(16)
C18 0.085(2) 0.106(3) 0.079(2) 0.036(2) -0.0210(19) -0.012(2)
C19 0.121(3) 0.083(2) 0.0602(19) 0.034(2) -0.015(2) 0.0039(16)
C20 0.099(2) 0.0596(16) 0.0574(17) 0.0081(16) -0.0016(16) -0.0014(14)
C21 0.0651(16) 0.0537(14) 0.0514(14) 0.0041(13) -0.0056(13) -0.0069(12)
C22 0.0520(14) 0.0504(13) 0.0545(14) -0.0044(11) 0.0018(12) -0.0002(11)
C23 0.0481(13) 0.0520(13) 0.0548(14) -0.0009(11) -0.0040(11) 0.0012(11)
C24 0.0440(13) 0.0608(15) 0.0612(16) 0.0009(12) -0.0004(12) 0.0023(13)
C25 0.0480(14) 0.0594(14) 0.0543(14) -0.0042(12) -0.0014(11) 0.0034(12)
C26 0.0485(14) 0.0563(14) 0.0508(14) -0.0039(12) -0.0004(11) 0.0078(12)
C27 0.0560(16) 0.0755(18) 0.0588(16) 0.0000(14) -0.0003(13) 0.0005(14)
C28 0.0558(16) 0.0799(19) 0.0645(17) 0.0070(14) 0.0116(14) 0.0071(15)
C29 0.0453(14) 0.086(2) 0.0675(17) -0.0026(14) 0.0027(14) 0.0212(16)
C30 0.0528(15) 0.0762(18) 0.0601(16) -0.0113(14) -0.0032(13) 0.0115(14)
C31 0.0531(15) 0.0531(14) 0.0528(14) -0.0062(12) 0.0024(12) 0.0119(12)
C32 0.0573(16) 0.0657(16) 0.0551(15) 0.0029(14) 0.0002(13) 0.0027(13)
C33 0.0754(19) 0.0597(16) 0.0678(18) -0.0091(15) -0.0091(16) -0.0017(14)
C34 0.096(2) 0.093(2) 0.100(3) -0.005(2) -0.010(2) -0.036(2)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C32 N1 C33 126.0(2) y
C32 N1 C31 108.8(2) y
C33 N1 C31 124.3(2) y
C25 O3 C24 91.1(2) y
C2 C1 C6 118.0(2) ?
C2 C1 C7 121.4(2) ?
C6 C1 C7 120.6(2) ?
C1 C2 C3 120.2(3) ?
C4 C3 C2 120.9(3) ?
C3 C4 C5 119.8(3) ?
C4 C5 C6 119.9(3) ?
C5 C6 C1 121.2(3) ?
C14 C7 C8 123.0(2) y
C14 C7 C1 119.3(2) y
C8 C7 C1 117.6(2) y
C9 C8 C13 118.3(2) ?
C9 C8 C7 119.7(2) ?
C13 C8 C7 122.0(2) ?
C8 C9 C10 120.5(3) ?
C11 C10 C9 120.3(3) ?
C10 C11 C12 119.7(3) ?
C11 C12 C13 120.3(3) ?
C12 C13 C8 120.8(3) ?
C7 C14 C15 128.7(2) ?
C7 C14 C22 134.2(2) ?
C15 C14 C22 96.49(19) ?
C16 C15 C24 105.16(19) ?
C16 C15 C14 97.9(2) ?
C24 C15 C14 101.04(19) ?
C17 C16 C21 121.1(3) ?
C17 C16 C15 131.9(3) ?
C21 C16 C15 107.0(2) ?
C16 C17 C18 118.0(3) ?
C19 C18 C17 121.4(3) ?
C18 C19 C20 121.0(3) ?
C21 C20 C19 117.7(3) ?
C20 C21 C16 120.8(3) ?
C20 C21 C22 132.6(3) ?
C16 C21 C22 106.6(2) ?
C21 C22 C14 97.28(19) ?
C21 C22 C23 102.63(19) ?
C14 C22 C23 103.41(19) ?
C24 C23 C25 84.92(17) ?
C24 C23 C22 102.15(19) ?
C25 C23 C22 120.7(2) ?
O3 C24 C15 112.7(2) ?
O3 C24 C23 90.68(16) ?
C15 C24 C23 105.6(2) ?
O3 C25 C26 117.9(2) ?
O3 C25 C32 108.50(19) ?
C26 C25 C32 102.5(2) ?
O3 C25 C23 90.75(17) ?
C26 C25 C23 125.1(2) ?
C32 C25 C23 111.5(2) ?
C27 C26 C31 119.8(2) ?
C27 C26 C25 130.2(2) ?
C31 C26 C25 110.0(2) ?
C26 C27 C28 119.6(3) ?
C29 C28 C27 120.1(3) ?
C28 C29 C30 121.6(3) ?
C31 C30 C29 117.8(3) ?
C30 C31 C26 121.1(2) ?
C30 C31 N1 128.7(2) ?
C26 C31 N1 110.1(2) ?
O1 C32 N1 126.7(2) ?
O1 C32 C25 124.9(2) ?
N1 C32 C25 108.3(2) ?
O2 C33 N1 119.9(3) ?
O2 C33 C34 122.0(3) y
N1 C33 C34 118.1(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
N1 C32 1.405(3) ?
N1 C33 1.416(3) y
N1 C31 1.432(3) ?
O1 C32 1.200(3) y
O2 C33 1.200(3) y
O3 C25 1.457(3) ?
O3 C24 1.465(3) ?
C1 C2 1.379(4) ?
C1 C6 1.383(4) ?
C1 C7 1.502(3) ?
C2 C3 1.390(4) ?
C3 C4 1.356(5) ?
C4 C5 1.363(4) ?
C5 C6 1.382(4) ?
C7 C14 1.334(3) y
C7 C8 1.489(3) ?
C8 C9 1.390(3) ?
C8 C13 1.391(3) ?
C9 C10 1.392(4) ?
C10 C11 1.371(4) ?
C11 C12 1.377(4) ?
C12 C13 1.383(4) ?
C14 C15 1.529(3) ?
C14 C22 1.536(3) ?
C15 C16 1.513(4) ?
C15 C24 1.526(3) ?
C16 C17 1.371(4) ?
C16 C21 1.408(3) ?
C17 C18 1.384(4) ?
C18 C19 1.378(5) ?
C19 C20 1.400(4) ?
C20 C21 1.374(4) ?
C21 C22 1.525(3) ?
C22 C23 1.557(3) ?
C23 C24 1.543(3) y
C23 C25 1.549(3) y
C25 C26 1.488(3) ?
C25 C32 1.542(4) ?
C26 C27 1.377(3) ?
C26 C31 1.390(3) ?
C27 C28 1.388(4) ?
C28 C29 1.369(4) ?
C29 C30 1.388(4) ?
C30 C31 1.387(3) ?
C33 C34 1.486(4) y
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C30 H30A O2 1_555 0.93 2.29 2.833(4) 117 yes
C34 H34A O1 1_555 0.96 1.98 2.776(4) 139 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 -0.7(4) ?
C7 C1 C2 C3 179.1(3) ?
C1 C2 C3 C4 0.3(5) ?
C2 C3 C4 C5 0.2(5) ?
C3 C4 C5 C6 -0.3(5) ?
C4 C5 C6 C1 -0.2(4) ?
C2 C1 C6 C5 0.7(4) ?
C7 C1 C6 C5 -179.2(2) ?
C2 C1 C7 C14 -121.5(3) ?
C6 C1 C7 C14 58.3(3) ?
C2 C1 C7 C8 61.5(3) ?
C6 C1 C7 C8 -118.6(3) ?
C14 C7 C8 C9 -134.4(3) ?
C1 C7 C8 C9 42.4(3) ?
C14 C7 C8 C13 43.1(4) ?
C1 C7 C8 C13 -140.1(2) ?
C13 C8 C9 C10 -2.8(4) ?
C7 C8 C9 C10 174.8(2) ?
C8 C9 C10 C11 1.9(4) ?
C9 C10 C11 C12 0.6(4) ?
C10 C11 C12 C13 -2.0(5) ?
C11 C12 C13 C8 1.0(4) ?
C9 C8 C13 C12 1.4(4) ?
C7 C8 C13 C12 -176.1(2) ?
C8 C7 C14 C15 -171.0(2) ?
C1 C7 C14 C15 12.3(4) ?
C8 C7 C14 C22 -1.9(4) ?
C1 C7 C14 C22 -178.7(2) ?
C7 C14 C15 C16 118.2(3) ?
C22 C14 C15 C16 -53.9(2) ?
C7 C14 C15 C24 -134.6(3) ?
C22 C14 C15 C24 53.3(2) ?
C24 C15 C16 C17 110.3(3) ?
C14 C15 C16 C17 -145.9(3) ?
C24 C15 C16 C21 -70.0(2) ?
C14 C15 C16 C21 33.8(2) ?
C21 C16 C17 C18 -0.9(4) ?
C15 C16 C17 C18 178.8(3) ?
C16 C17 C18 C19 1.1(5) ?
C17 C18 C19 C20 0.5(5) ?
C18 C19 C20 C21 -2.2(4) ?
C19 C20 C21 C16 2.4(4) ?
C19 C20 C21 C22 -179.4(3) ?
C17 C16 C21 C20 -0.9(4) ?
C15 C16 C21 C20 179.4(2) ?
C17 C16 C21 C22 -179.5(2) ?
C15 C16 C21 C22 0.8(3) ?
C20 C21 C22 C14 146.9(3) ?
C16 C21 C22 C14 -34.7(2) ?
C20 C21 C22 C23 -107.6(3) ?
C16 C21 C22 C23 70.8(2) ?
C7 C14 C22 C21 -117.3(3) ?
C15 C14 C22 C21 54.1(2) ?
C7 C14 C22 C23 137.8(3) ?
C15 C14 C22 C23 -50.8(2) ?
C21 C22 C23 C24 -72.2(2) ?
C14 C22 C23 C24 28.6(2) ?
C21 C22 C23 C25 -163.5(2) ?
C14 C22 C23 C25 -62.7(3) ?
C25 O3 C24 C15 -119.6(2) ?
C25 O3 C24 C23 -12.4(2) y
C16 C15 C24 O3 161.84(19) ?
C14 C15 C24 O3 60.4(2) ?
C16 C15 C24 C23 64.4(2) ?
C14 C15 C24 C23 -37.1(2) ?
C25 C23 C24 O3 11.7(2) y
C22 C23 C24 O3 -108.67(18) ?
C25 C23 C24 C15 125.5(2) ?
C22 C23 C24 C15 5.2(2) ?
C24 O3 C25 C26 143.4(2) ?
C24 O3 C25 C32 -100.7(2) ?
C24 O3 C25 C23 12.3(2) y
C24 C23 C25 O3 -11.7(2) y
C22 C23 C25 O3 89.4(2) ?
C24 C23 C25 C26 -137.3(2) ?
C22 C23 C25 C26 -36.1(3) ?
C24 C23 C25 C32 98.5(2) ?
C22 C23 C25 C32 -160.3(2) ?
O3 C25 C26 C27 -55.6(3) ?
C32 C25 C26 C27 -174.6(2) ?
C23 C25 C26 C27 57.4(4) ?
O3 C25 C26 C31 122.2(2) ?
C32 C25 C26 C31 3.1(2) ?
C23 C25 C26 C31 -124.9(2) ?
C31 C26 C27 C28 1.0(4) ?
C25 C26 C27 C28 178.5(2) ?
C26 C27 C28 C29 -1.1(4) ?
C27 C28 C29 C30 1.4(4) ?
C28 C29 C30 C31 -1.4(4) ?
C29 C30 C31 C26 1.2(4) ?
C29 C30 C31 N1 -176.9(2) ?
C27 C26 C31 C30 -1.0(4) ?
C25 C26 C31 C30 -179.1(2) ?
C27 C26 C31 N1 177.4(2) ?
C25 C26 C31 N1 -0.6(3) ?
C32 N1 C31 C30 175.8(2) ?
C33 N1 C31 C30 5.6(4) ?
C32 N1 C31 C26 -2.5(3) ?
C33 N1 C31 C26 -172.7(2) ?
C33 N1 C32 O1 -3.9(4) ?
C31 N1 C32 O1 -173.9(3) ?
C33 N1 C32 C25 174.5(2) ?
C31 N1 C32 C25 4.4(3) ?
O3 C25 C32 O1 48.4(3) ?
C26 C25 C32 O1 173.8(3) ?
C23 C25 C32 O1 -50.0(3) ?
O3 C25 C32 N1 -130.0(2) ?
C26 C25 C32 N1 -4.6(3) ?
C23 C25 C32 N1 131.6(2) ?
C32 N1 C33 O2 -170.3(3) ?
C31 N1 C33 O2 -1.7(4) ?
C32 N1 C33 C34 10.0(4) ?
C31 N1 C33 C34 178.6(2) ?