#------------------------------------------------------------------------------
#$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008859.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008859
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1999
_journal_volume 55
_journal_page_first  1355
_journal_page_last  1357
_publ_section_title
;
1-Acetyl-1,2,3,4-tetrahydro-4-methyl-2,4-diphenyl-5H-1,5-benzodiazepine
;
loop_
_publ_author_name
  'Laavanya, P.'
  'Panchanatheswaran, K.'
  'Venkatraj, M.'
  'Jeyaraman, R.'
  'Marshall, W.'
_chemical_formula_moiety  'C24 H24 N2 O'
_chemical_formula_sum  'C24 H24 N2 O'
_chemical_formula_weight  356.45
_symmetry_cell_setting  orthorhombic
_symmetry_space_group_name_H-M  'P n a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, z+1/2'
  '-x+1/2, y+1/2, z+1/2'
  'x+1/2, -y+1/2, z'
_cell_length_a  20.9990(10)
_cell_length_b  14.3970(5)
_cell_length_c  12.648(4)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  3823.8(12)
_cell_formula_units_Z  8
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.238
_diffrn_ambient_temperature  173(2)
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_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  O1 0.29266(9) 0.40090(12) 0.18226(17) 0.0577(5) Uani d . 1 . . O
  N1 0.27057(9) 0.51230(12) 0.30250(15) 0.0352(4) Uani d . 1 . . N
  C2 0.20775(10) 0.47036(14) 0.32230(19) 0.0354(5) Uani d . 1 . . C
  H2 0.1962 0.4332 0.2583 0.0621(15) Uiso calc R 1 . . H
  C3 0.15669(10) 0.54564(14) 0.33587(18) 0.0348(5) Uani d . 1 . . C
  H3A 0.1146 0.5147 0.3393 0.0621(15) Uiso calc R 1 . . H
  H3B 0.1638 0.5766 0.4048 0.0621(15) Uiso calc R 1 . . H
  C4 0.15364(10) 0.62088(15) 0.25007(18) 0.0369(5) Uani d . 1 . . C
  N5 0.21041(10) 0.68285(15) 0.25653(18) 0.0453(5) Uani d . 1 . . N
  H5 0.1981(13) 0.741(2) 0.243(3) 0.057(8) Uiso d . 1 . . H
  C6 0.27617(13) 0.75797(16) 0.3885(2) 0.0514(6) Uani d . 1 . . C
  H6 0.2556 0.8154 0.3741 0.0621(15) Uiso calc R 1 . . H
  C7 0.32503(13) 0.75557(18) 0.4615(2) 0.0560(7) Uani d . 1 . . C
  H7 0.3379 0.8112 0.4958 0.0621(15) Uiso calc R 1 . . H
  C8 0.35558(12) 0.67216(18) 0.4852(2) 0.0511(6) Uani d . 1 . . C
  H8 0.3891 0.6702 0.5355 0.0621(15) Uiso calc R 1 . . H
  C9 0.33602(11) 0.59251(16) 0.4341(2) 0.0419(5) Uani d . 1 . . C
  H9 0.3559 0.5351 0.4508 0.0621(15) Uiso calc R 1 . . H
  C10 0.25624(10) 0.67834(15) 0.3353(2) 0.0390(5) Uani d . 1 . . C
  C11 0.28796(10) 0.59454(14) 0.35892(18) 0.0363(5) Uani d . 1 . . C
  C12 0.20711(9) 0.40482(14) 0.41622(18) 0.0331(5) Uani d . 1 . . C
  C13 0.19290(11) 0.31127(15) 0.4005(2) 0.0422(5) Uani d . 1 . . C
  H13 0.1877 0.2883 0.3306 0.0621(15) Uiso calc R 1 . . H
  C14 0.18617(12) 0.25126(17) 0.4854(2) 0.0519(6) Uani d . 1 . . C
  H14 0.1758 0.1879 0.4735 0.0621(15) Uiso calc R 1 . . H
  C15 0.19451(12) 0.28338(18) 0.5873(2) 0.0519(6) Uani d . 1 . . C
  H15 0.1889 0.2426 0.6456 0.0621(15) Uiso calc R 1 . . H
  C16 0.21113(11) 0.37580(17) 0.6044(2) 0.0455(6) Uani d . 1 . . C
  H16 0.2183 0.3979 0.6742 0.0621(15) Uiso calc R 1 . . H
  C17 0.21718(11) 0.43538(16) 0.5185(2) 0.0408(5) Uani d . 1 . . C
  H17 0.2285 0.4984 0.5304 0.0621(15) Uiso calc R 1 . . H
  C18 0.09477(11) 0.68021(16) 0.2728(2) 0.0457(6) Uani d . 1 . . C
  C19 0.04222(13) 0.6819(2) 0.2062(3) 0.0660(8) Uani d . 1 . . C
  H19 0.0420 0.6455 0.1436 0.0621(15) Uiso calc R 1 . . H
  C20 -0.01005(16) 0.7368(3) 0.2313(4) 0.0981(15) Uani d . 1 . . C
  H20 -0.0455 0.7384 0.1846 0.0621(15) Uiso calc R 1 . . H
  C21 -0.0115(2) 0.7880(3) 0.3208(5) 0.1096(19) Uani d . 1 . . C
  H21 -0.0477 0.8250 0.3369 0.0621(15) Uiso calc R 1 . . H
  C22 0.0397(2) 0.7863(3) 0.3884(4) 0.0966(15) Uani d . 1 . . C
  H22 0.0386 0.8215 0.4519 0.0621(15) Uiso calc R 1 . . H
  C23 0.09265(16) 0.73351(18) 0.3644(2) 0.0622(8) Uani d . 1 . . C
  H23 0.1281 0.7336 0.4110 0.0621(15) Uiso calc R 1 . . H
  C24 0.15280(13) 0.57810(19) 0.1401(2) 0.0497(6) Uani d . 1 . . C
  H24A 0.1173 0.5341 0.1348 0.080(3) Uiso calc R 1 . . H
  H24B 0.1930 0.5454 0.1275 0.080(3) Uiso calc R 1 . . H
  H24C 0.1475 0.6272 0.0872 0.080(3) Uiso calc R 1 . . H
  C25 0.30877(11) 0.47252(16) 0.2275(2) 0.0424(5) Uani d . 1 . . C
  C26 0.36951(13) 0.52112(19) 0.1992(3) 0.0567(7) Uani d . 1 . . C
  H26A 0.4009 0.5114 0.2554 0.080(3) Uiso calc R 1 . . H
  H26B 0.3613 0.5878 0.1912 0.080(3) Uiso calc R 1 . . H
  H26C 0.3860 0.4960 0.1326 0.080(3) Uiso calc R 1 . . H
  O1A 0.50388(9) 0.31192(12) 0.16970(15) 0.0539(5) Uani d . 1 . . O
  N1A 0.47017(9) 0.21811(12) 0.30236(15) 0.0377(4) Uani d . 1 . . N
  C2A 0.41336(10) 0.27547(14) 0.32417(18) 0.0359(5) Uani d . 1 . . C
  H2A 0.4053 0.3154 0.2609 0.0621(15) Uiso calc R 1 . . H
  C3A 0.35567(10) 0.21266(14) 0.33935(17) 0.0354(5) Uani d . 1 . . C
  H3A1 0.3172 0.2523 0.3427 0.0621(15) Uiso calc R 1 . . H
  H3A2 0.3599 0.1813 0.4086 0.0621(15) Uiso calc R 1 . . H
  C4A 0.34460(11) 0.13744(15) 0.25399(19) 0.0397(5) Uani d . 1 . . C
  N5A 0.39486(10) 0.06400(14) 0.25815(19) 0.0490(5) Uani d . 1 . . N
  H5A 0.3789(15) 0.010(2) 0.246(2) 0.056(8) Uiso d . 1 . . H
  C6A 0.45212(16) -0.02553(19) 0.3926(3) 0.0657(9) Uani d . 1 . . C
  H6A 0.4278 -0.0793 0.3763 0.0621(15) Uiso calc R 1 . . H
  C7A 0.49870(18) -0.0305(3) 0.4682(3) 0.0800(12) Uani d . 1 . . C
  H7A 0.5072 -0.0881 0.5019 0.0621(15) Uiso calc R 1 . . H
  C8A 0.53339(15) 0.0470(3) 0.4960(3) 0.0768(11) Uani d . 1 . . C
  H8A 0.5644 0.0436 0.5506 0.0621(15) Uiso calc R 1 . . H
  C9A 0.52250(12) 0.1307(2) 0.4430(2) 0.0570(7) Uani d . 1 . . C
  H9A 0.5460 0.1846 0.4619 0.0621(15) Uiso calc R 1 . . H
  C10A 0.43977(12) 0.05809(15) 0.3386(2) 0.0457(6) Uani d . 1 . . C
  C11A 0.47800(11) 0.13516(16) 0.3637(2) 0.0432(5) Uani d . 1 . . C
  C12A 0.42569(10) 0.33947(15) 0.41870(19) 0.0379(5) Uani d . 1 . . C
  C13A 0.38730(12) 0.34248(15) 0.5068(2) 0.0445(5) Uani d . 1 . . C
  H13A 0.3501 0.3050 0.5094 0.0621(15) Uiso calc R 1 . . H
  C14A 0.40208(13) 0.39972(16) 0.5924(2) 0.0507(6) Uani d . 1 . . C
  H14A 0.3755 0.3999 0.6532 0.0621(15) Uiso calc R 1 . . H
  C15A 0.45503(13) 0.45594(17) 0.5890(2) 0.0527(6) Uani d . 1 . . C
  H15A 0.4654 0.4945 0.6475 0.0621(15) Uiso calc R 1 . . H
  C16A 0.49285(13) 0.4559(2) 0.5002(3) 0.0604(8) Uani d . 1 . . C
  H16A 0.5288 0.4958 0.4966 0.0621(15) Uiso calc R 1 . . H
  C17A 0.47857(12) 0.39772(19) 0.4156(2) 0.0536(6) Uani d . 1 . . C
  H17A 0.5053 0.3978 0.3550 0.0621(15) Uiso calc R 1 . . H
  C18A 0.28045(11) 0.09322(15) 0.2825(2) 0.0403(5) Uani d . 1 . . C
  C19A 0.22430(12) 0.11293(17) 0.2271(2) 0.0474(6) Uani d . 1 . . C
  H19A 0.2259 0.1528 0.1674 0.0621(15) Uiso calc R 1 . . H
  C20A 0.16649(13) 0.07535(19) 0.2578(2) 0.0557(7) Uani d . 1 . . C
  H20A 0.1290 0.0893 0.2188 0.0621(15) Uiso calc R 1 . . H
  C21A 0.16298(13) 0.01765(18) 0.3451(2) 0.0560(7) Uani d . 1 . . C
  H21A 0.1233 -0.0082 0.3660 0.0621(15) Uiso calc R 1 . . H
  C22A 0.21756(13) -0.00198(17) 0.4013(2) 0.0521(6) Uani d . 1 . . C
  H22A 0.2153 -0.0412 0.4616 0.0621(15) Uiso calc R 1 . . H
  C23A 0.27579(12) 0.03478(16) 0.3709(2) 0.0449(6) Uani d . 1 . . C
  H23A 0.3129 0.0202 0.4104 0.0621(15) Uiso calc R 1 . . H
  C24A 0.34532(13) 0.17965(18) 0.1435(2) 0.0490(6) Uani d . 1 . . C
  H24D 0.3146 0.2308 0.1401 0.080(3) Uiso calc R 1 . . H
  H24E 0.3337 0.1320 0.0916 0.080(3) Uiso calc R 1 . . H
  H24F 0.3881 0.2032 0.1278 0.080(3) Uiso calc R 1 . . H
  C25A 0.50963(11) 0.23981(17) 0.22083(19) 0.0425(5) Uani d . 1 . . C
  C26A 0.56054(12) 0.16963(19) 0.1942(2) 0.0537(6) Uani d . 1 . . C
  H26D 0.5414 0.1078 0.1887 0.080(3) Uiso calc R 1 . . H
  H26E 0.5929 0.1694 0.2500 0.080(3) Uiso calc R 1 . . H
  H26F 0.5804 0.1862 0.1266 0.080(3) 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
  O1 0.0616(11) 0.0487(10) 0.0630(12) 0.0027(8) 0.0208(9) -0.0114(9)
  N1 0.0322(8) 0.0374(9) 0.0360(10) -0.0015(7) 0.0029(8) -0.0005(8)
  C2 0.0342(10) 0.0344(10) 0.0376(12) -0.0032(8) 0.0039(9) -0.0013(9)
  C3 0.0332(10) 0.0379(10) 0.0333(11) -0.0003(8) 0.0018(9) 0.0028(9)
  C4 0.0349(10) 0.0406(11) 0.0353(12) -0.0008(8) 0.0014(9) 0.0069(9)
  N5 0.0438(10) 0.0424(11) 0.0497(13) -0.0053(8) -0.0043(9) 0.0157(9)
  C6 0.0589(14) 0.0341(12) 0.0611(18) -0.0055(10) -0.0011(12) 0.0028(12)
  C7 0.0622(15) 0.0459(13) 0.0597(16) -0.0176(12) -0.0025(14) -0.0035(12)
  C8 0.0461(13) 0.0594(15) 0.0478(16) -0.0132(11) -0.0075(11) 0.0039(12)
  C9 0.0374(11) 0.0459(12) 0.0423(13) -0.0045(9) -0.0001(10) 0.0064(10)
  C10 0.0383(11) 0.0374(11) 0.0413(13) -0.0048(9) 0.0038(10) 0.0066(9)
  C11 0.0342(11) 0.0365(11) 0.0382(12) -0.0045(8) 0.0039(9) 0.0031(9)
  C12 0.0294(10) 0.0311(10) 0.0389(12) 0.0005(8) 0.0005(9) 0.0006(8)
  C13 0.0419(12) 0.0318(10) 0.0529(14) 0.0026(9) -0.0044(11) -0.0023(9)
  C14 0.0526(14) 0.0337(11) 0.0695(18) -0.0024(10) -0.0080(13) 0.0103(11)
  C15 0.0492(13) 0.0474(13) 0.0592(17) -0.0005(11) -0.0056(13) 0.0197(12)
  C16 0.0481(12) 0.0455(12) 0.0428(14) 0.0032(10) -0.0015(11) 0.0080(11)
  C17 0.0450(12) 0.0347(11) 0.0428(14) -0.0008(9) 0.0011(10) 0.0004(9)
  C18 0.0423(12) 0.0484(12) 0.0465(15) 0.0070(10) 0.0078(11) 0.0161(10)
  C19 0.0439(15) 0.0813(19) 0.073(2) 0.0076(13) 0.0013(14) 0.0281(16)
  C20 0.0490(17) 0.130(3) 0.115(4) 0.033(2) 0.015(2) 0.064(3)
  C21 0.094(3) 0.114(3) 0.121(4) 0.068(3) 0.061(3) 0.062(3)
  C22 0.134(4) 0.070(2) 0.086(3) 0.051(2) 0.057(3) 0.0251(18)
  C23 0.083(2) 0.0489(14) 0.0547(17) 0.0217(14) 0.0188(15) 0.0087(12)
  C24 0.0570(15) 0.0571(14) 0.0349(13) 0.0044(11) -0.0025(11) 0.0043(11)
  C25 0.0411(12) 0.0428(12) 0.0435(14) 0.0057(9) 0.0085(10) 0.0045(10)
  C26 0.0441(13) 0.0625(15) 0.0637(18) 0.0033(12) 0.0187(13) 0.0051(13)
  O1A 0.0584(11) 0.0549(10) 0.0484(11) -0.0058(8) 0.0097(8) 0.0077(9)
  N1A 0.0376(9) 0.0396(9) 0.0361(11) -0.0001(7) 0.0051(8) 0.0003(8)
  C2A 0.0352(10) 0.0347(10) 0.0377(12) 0.0033(8) -0.0002(9) -0.0014(8)
  C3A 0.0377(11) 0.0352(10) 0.0333(12) 0.0009(8) -0.0008(9) -0.0028(9)
  C4A 0.0455(12) 0.0358(11) 0.0378(13) -0.0005(9) 0.0025(10) -0.0067(9)
  N5A 0.0522(12) 0.0352(10) 0.0596(14) -0.0011(9) 0.0118(11) -0.0097(9)
  C6A 0.0710(18) 0.0472(14) 0.079(2) 0.0203(13) 0.0395(18) 0.0188(14)
  C7A 0.074(2) 0.086(2) 0.080(2) 0.0460(19) 0.041(2) 0.0457(19)
  C8A 0.0570(17) 0.120(3) 0.0531(18) 0.048(2) 0.0176(14) 0.0329(19)
  C9A 0.0437(13) 0.0837(19) 0.0435(15) 0.0191(13) 0.0084(11) 0.0080(13)
  C10A 0.0477(13) 0.0417(12) 0.0476(14) 0.0132(10) 0.0184(11) 0.0065(10)
  C11A 0.0403(12) 0.0496(13) 0.0396(13) 0.0129(10) 0.0099(10) 0.0068(10)
  C12A 0.0363(11) 0.0369(11) 0.0404(13) 0.0036(9) -0.0043(9) -0.0019(9)
  C13A 0.0489(12) 0.0389(12) 0.0456(14) -0.0001(10) 0.0025(11) -0.0067(10)
  C14A 0.0637(15) 0.0450(13) 0.0433(14) 0.0021(11) 0.0044(12) -0.0091(10)
  C15A 0.0587(15) 0.0505(14) 0.0488(15) 0.0043(11) -0.0143(13) -0.0149(11)
  C16A 0.0432(13) 0.0689(17) 0.069(2) -0.0124(12) -0.0079(14) -0.0211(15)
  C17A 0.0446(13) 0.0621(15) 0.0540(16) -0.0104(11) 0.0016(12) -0.0149(12)
  C18A 0.0479(12) 0.0357(10) 0.0374(12) -0.0040(9) 0.0034(10) -0.0095(9)
  C19A 0.0529(13) 0.0461(13) 0.0433(14) -0.0079(10) -0.0035(11) -0.0096(10)
  C20A 0.0502(14) 0.0603(15) 0.0567(17) -0.0105(12) -0.0043(13) -0.0161(13)
  C21A 0.0526(15) 0.0515(14) 0.0639(18) -0.0134(11) 0.0123(13) -0.0163(13)
  C22A 0.0644(16) 0.0393(12) 0.0527(15) -0.0076(11) 0.0164(13) -0.0076(11)
  C23A 0.0509(13) 0.0375(11) 0.0464(15) -0.0015(10) 0.0065(11) -0.0068(10)
  C24A 0.0619(16) 0.0517(14) 0.0336(13) -0.0136(11) 0.0029(11) -0.0066(10)
  C25A 0.0431(12) 0.0490(13) 0.0354(13) -0.0061(10) 0.0039(10) -0.0004(10)
  C26A 0.0450(13) 0.0691(16) 0.0471(15) 0.0051(12) 0.0115(12) -0.0010(12)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 C25 . 1.227(3) ?
  N1 C25 . 1.368(3) ?
  N1 C11 . 1.430(3) ?
  N1 C2 . 1.472(3) ?
  C2 C12 . 1.517(3) ?
  C2 C3 . 1.534(3) ?
  C2 H2 . 1.0000 ?
  C3 C4 . 1.535(3) ?
  C3 H3A . 0.9900 ?
  C3 H3B . 0.9900 ?
  C4 N5 . 1.491(3) ?
  C4 C24 . 1.521(3) ?
  C4 C18 . 1.530(3) ?
  N5 C10 . 1.387(3) ?
  N5 H5 . 0.90(3) ?
  C6 C7 . 1.381(4) ?
  C6 C10 . 1.393(4) ?
  C6 H6 . 0.9500 ?
  C7 C8 . 1.394(4) ?
  C7 H7 . 0.9500 ?
  C8 C9 . 1.379(4) ?
  C8 H8 . 0.9500 ?
  C9 C11 . 1.387(3) ?
  C9 H9 . 0.9500 ?
  C10 C11 . 1.410(3) ?
  C12 C17 . 1.383(3) ?
  C12 C13 . 1.394(3) ?
  C13 C14 . 1.385(4) ?
  C13 H13 . 0.9500 ?
  C14 C15 . 1.380(4) ?
  C14 H14 . 0.9500 ?
  C15 C16 . 1.392(4) ?
  C15 H15 . 0.9500 ?
  C16 C17 . 1.390(4) ?
  C16 H16 . 0.9500 ?
  C17 H17 . 0.9500 ?
  C18 C19 . 1.388(4) ?
  C18 C23 . 1.390(4) ?
  C19 C20 . 1.390(5) ?
  C19 H19 . 0.9500 ?
  C20 C21 . 1.351(8) ?
  C20 H20 . 0.9500 ?
  C21 C22 . 1.373(8) ?
  C21 H21 . 0.9500 ?
  C22 C23 . 1.382(5) ?
  C22 H22 . 0.9500 ?
  C23 H23 . 0.9500 ?
  C24 H24A . 0.9800 ?
  C24 H24B . 0.9800 ?
  C24 H24C . 0.9800 ?
  C25 C26 . 1.498(3) ?
  C26 H26A . 0.9800 ?
  C26 H26B . 0.9800 ?
  C26 H26C . 0.9800 ?
  O1A C25A . 1.229(3) ?
  N1A C25A . 1.359(3) ?
  N1A C11A . 1.433(3) ?
  N1A C2A . 1.477(3) ?
  C2A C3A . 1.524(3) ?
  C2A C12A . 1.532(3) ?
  C2A H2A . 1.0000 ?
  C3A C4A . 1.547(3) ?
  C3A H3A1 . 0.9900 ?
  C3A H3A2 . 0.9900 ?
  C4A N5A . 1.495(3) ?
  C4A C24A . 1.524(3) ?
  C4A C18A . 1.533(3) ?
  N5A C10A . 1.390(4) ?
  N5A H5A . 0.86(3) ?
  C6A C7A . 1.370(6) ?
  C6A C10A . 1.408(4) ?
  C6A H6A . 0.9500 ?
  C7A C8A . 1.378(6) ?
  C7A H7A . 0.9500 ?
  C8A C9A . 1.397(4) ?
  C8A H8A . 0.9500 ?
  C9A C11A . 1.373(4) ?
  C9A H9A . 0.9500 ?
  C10A C11A . 1.406(4) ?
  C12A C13A . 1.376(4) ?
  C12A C17A . 1.392(3) ?
  C13A C14A . 1.396(4) ?
  C13A H13A . 0.9500 ?
  C14A C15A . 1.376(4) ?
  C14A H14A . 0.9500 ?
  C15A C16A . 1.376(4) ?
  C15A H15A . 0.9500 ?
  C16A C17A . 1.391(4) ?
  C16A H16A . 0.9500 ?
  C17A H17A . 0.9500 ?
  C18A C19A . 1.400(4) ?
  C18A C23A . 1.403(4) ?
  C19A C20A . 1.385(4) ?
  C19A H19A . 0.9500 ?
  C20A C21A . 1.383(4) ?
  C20A H20A . 0.9500 ?
  C21A C22A . 1.378(4) ?
  C21A H21A . 0.9500 ?
  C22A C23A . 1.387(4) ?
  C22A H22A . 0.9500 ?
  C23A H23A . 0.9500 ?
  C24A H24D . 0.9800 ?
  C24A H24E . 0.9800 ?
  C24A H24F . 0.9800 ?
  C25A C26A . 1.509(3) ?
  C26A H26D . 0.9800 ?
  C26A H26E . 0.9800 ?
  C26A H26F . 0.9800 ?
_cod_database_code 2008859