data_2012306
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1361
_journal_page_last  1362
_publ_section_title
;
A novel glycoside lactone derivative with a 2-C-unsaturated diester
substituent
;
loop_
_publ_author_name
  'Zhang, Fuyi'
  'Du, Chen-xia'
  'Liu, Hong-Min'
  'Zhu, Yu'
_chemical_formula_moiety  'C18 H18 O8'
_chemical_formula_sum  'C18 H18 O8'
_chemical_formula_iupac  'C18 H18 O8'
_chemical_formula_weight  362.32
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
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'
_cell_length_a  22.469(5)
_cell_length_b  4.6467(9)
_cell_length_c  16.501(3)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1722.8(6)
_cell_formula_units_Z  4
_cell_measurement_temperature  291(2)
_exptl_crystal_density_diffrn  1.397
_diffrn_ambient_temperature  291(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  .15952(6)  .4688(3)  .32087(6)  .0498(4) Uani d . 1 . . O
  O2  .31517(7)  .0894(5)  .07470(8)  .0791(6) Uani d . 1 . . O
  O3  .23100(5)  .3476(4)  .07963(7)  .0557(4) Uani d . 1 . . O
  O4  .10271(5)  .5107(3)  .04932(5)  .0393(3) Uani d . 1 . . O
  O5  .10115(5)  .1443(3)  .24604(6)  .0410(3) Uani d . 1 . . O
  O6  .00484(5)  .4733(3)  .09490(6)  .0436(3) Uani d . 1 . . O
  O7  .31436(7)  -.3078(4)  .22505(8)  .0711(5) Uani d . 1 . . O
  O8  .27567(6)  -.0519(4)  .32712(7)  .0607(4) Uani d . 1 . . O
  C1  .15797(8)  .2072(4)  .27957(9)  .0389(5) Uani d . 1 . . C
  H1A  .1699  .0516  .3162  .047 Uiso calc R 1 . . H
  C2  .20214(8)  .2292(4)  .21037(8)  .0391(5) Uani d . 1 . . C
  C3  .18521(8)  .4054(5)  .13776(9)  .0420(5) Uani d . 1 . . C
  H3A  .1858  .6101  .1521  .050 Uiso calc R 1 . . H
  C4  .12355(7)  .3216(4)  .11118(8)  .0366(4) Uani d . 1 . . C
  H4A  .1237  .1230  .0911  .044 Uiso calc R 1 . . H
  C5  .08295(8)  .3454(4)  .18538(9)  .0371(4) Uani d . 1 . . C
  H5A  .0850  .5411  .2073  .044 Uiso calc R 1 . . H
  C6  .01979(8)  .2799(5)  .15934(9)  .0440(5) Uani d . 1 . . C
  H6A  .0168  .0822  .1409  .053 Uiso calc R 1 . . H
  H6B  -.0073  .3061  .2045  .053 Uiso calc R 1 . . H
  C7  .13260(11)  .4512(6)  .39997(10)  .0705(8) Uani d . 1 . . C
  H7A  .1373  .6317  .4275  .106 Uiso calc R 1 . . H
  H7B  .1515  .3016  .4307  .106 Uiso calc R 1 . . H
  H7C  .0910  .4087  .3944  .106 Uiso calc R 1 . . H
  C8  .25321(8)  .0942(4)  .19680(9)  .0425(5) Uani d . 1 . . C
  C9  .28524(8)  -.1123(5)  .24944(10)  .0456(5) Uani d . 1 . . C
  C10  .29887(11)  -.2571(6)  .38519(13)  .0804(8) Uani d . 1 . . C
  H10A  .2909  -.1904  .4392  .121 Uiso calc R 1 . . H
  H10B  .3411  -.2767  .3778  .121 Uiso calc R 1 . . H
  H10C  .2801  -.4404  .3771  .121 Uiso calc R 1 . . H
  C11  .04338(7)  .4382(4)  .02755(9)  .0381(5) Uani d . 1 . . C
  H11A  .0420  .2377  .0092  .046 Uiso calc R 1 . . H
  C12  .02272(8)  .6318(4)  -.03955(9)  .0396(5) Uani d . 1 . . C
  C13  -.03775(9)  .6585(6)  -.05419(10)  .0552(6) Uani d . 1 . . C
  H13A  -.0647  .5584  -.0221  .066 Uiso calc R 1 . . H
  C14  -.05827(10)  .8321(7)  -.11589(11)  .0683(7) Uani d . 1 . . C
  H14A  -.0990  .8502  -.1249  .082 Uiso calc R 1 . . H
  C15  -.01877(10)  .9780(6)  -.16404(10)  .0665(7) Uani d . 1 . . C
  H15A  -.0328 1.0975  -.2050  .080 Uiso calc R 1 . . H
  C16  .04172(10)  .9485(6)  -.15192(10)  .0578(6) Uani d . 1 . . C
  H16A  .0685 1.0444  -.1854  .069 Uiso calc R 1 . . H
  C17  .06238(9)  .7749(5)  -.08959(9)  .0461(5) Uani d . 1 . . C
  H17A  .1031  .7544  -.0813  .055 Uiso calc R 1 . . H
  C18  .27312(9)  .1657(6)  .11221(11)  .0524(6) Uani d . 1 . . C
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  .0637(8)  .0490(8)  .0367(5)  -.0051(8)  .0023(6)  -.0055(6)
  O2  .0533(8)  .1257(16)  .0582(6)  .0181(11)  .0180(7)  .0163(10)
  O3  .0397(7)  .0855(11)  .0421(5)  -.0016(9)  .0034(6)  .0185(7)
  O4  .0361(6)  .0450(7)  .0367(5)  -.0006(7)  -.0030(5)  .0078(5)
  O5  .0400(6)  .0398(7)  .0432(5)  -.0055(7)  .0008(5)  .0077(5)
  O6  .0387(6)  .0491(8)  .0430(5)  .0079(7)  .0036(5)  .0010(5)
  O7  .0637(9)  .0732(11)  .0762(8)  .0200(10)  .0085(8)  .0125(9)
  O8  .0665(9)  .0702(10)  .0456(6)  .0046(9)  -.0106(6)  .0135(7)
  C1  .0405(10)  .0395(11)  .0366(7)  -.0002(10)  .0013(7)  .0056(8)
  C2  .0417(10)  .0406(11)  .0351(7)  -.0081(9)  -.0060(7)  .0047(7)
  C3  .0353(9)  .0491(12)  .0417(7)  -.0045(10)  .0025(7)  .0061(8)
  C4  .0358(9)  .0365(10)  .0376(7)  .0006(9)  .0009(7)  .0028(8)
  C5  .0414(9)  .0340(9)  .0358(7)  -.0012(10)  .0023(7)  .0011(7)
  C6  .0434(11)  .0455(12)  .0432(8)  -.0011(11)  .0016(8)  .0072(8)
  C7  .0855(16)  .0828(19)  .0433(9)  -.0026(17)  .0112(10)  -.0102(11)
  C8  .0352(10)  .0525(13)  .0399(8)  -.0051(10)  -.0017(7)  .0041(8)
  C9  .0364(10)  .0527(13)  .0478(8)  -.0048(11)  -.0023(8)  .0029(9)
  C10  .0827(16)  .0913(19)  .0670(10)  -.0067(18)  -.0229(12)  .0327(13)
  C11  .0359(10)  .0362(11)  .0424(7)  -.0013(10)  -.0007(7)  -.0046(7)
  C12  .0454(10)  .0384(11)  .0350(7)  .0053(10)  -.0058(7)  -.0080(7)
  C13  .0457(12)  .0695(15)  .0504(9)  .0021(13)  -.0055(9)  -.0011(10)
  C14  .0545(13)  .0925(19)  .0579(10)  .0126(15)  -.0150(10)  .0034(13)
  C15  .0786(15)  .0732(16)  .0476(9)  .0125(15)  -.0193(10)  .0051(11)
  C16  .0729(14)  .0590(14)  .0414(8)  -.0022(14)  -.0065(9)  .0062(9)
  C17  .0490(11)  .0464(12)  .0430(8)  .0026(11)  -.0026(8)  -.0033(9)
  C18  .0383(10)  .0758(15)  .0430(8)  -.0019(12)  -.0022(8)  .0079(10)
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 C1 . 1.394(2) ?
  O1 C7 . 1.441(2) ?
  O2 C18 . 1.184(2) ?
  O3 C18 . 1.378(3) ?
  O3 C3 . 1.432(2) ?
  O4 C11 . 1.421(2) ?
  O4 C4 . 1.426(2) ?
  O5 C1 . 1.422(2) ?
  O5 C5 . 1.429(2) ?
  O6 C11 . 1.4185(18) ?
  O6 C6 . 1.432(2) ?
  O7 C9 . 1.190(3) ?
  O8 C9 . 1.330(2) ?
  O8 C10 . 1.449(3) ?
  C1 C2 . 1.516(2) ?
  C1 H1A .  .9800 ?
  C2 C8 . 1.327(3) ?
  C2 C3 . 1.500(2) ?
  C3 C4 . 1.505(2) ?
  C3 H3A .  .9800 ?
  C4 C5 . 1.531(2) ?
  C4 H4A .  .9800 ?
  C5 C6 . 1.514(2) ?
  C5 H5A .  .9800 ?
  C6 H6A .  .9700 ?
  C6 H6B .  .9700 ?
  C7 H7A .  .9600 ?
  C7 H7B .  .9600 ?
  C7 H7C .  .9600 ?
  C8 C9 . 1.481(3) ?
  C8 C18 . 1.503(2) ?
  C10 H10A .  .9600 ?
  C10 H10B .  .9600 ?
  C10 H10C .  .9600 ?
  C11 C12 . 1.500(2) ?
  C11 H11A .  .9800 ?
  C12 C17 . 1.385(3) ?
  C12 C13 . 1.386(3) ?
  C13 C14 . 1.378(3) ?
  C13 H13A .  .9300 ?
  C14 C15 . 1.371(3) ?
  C14 H14A .  .9300 ?
  C15 C16 . 1.381(3) ?
  C15 H15A .  .9300 ?
  C16 C17 . 1.387(3) ?
  C16 H16A .  .9300 ?
  C17 H17A .  .9300 ?