data_2007232
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  683
_journal_page_last  687
_publ_section_title
;
2,3-Bis(diphenylmethylene)succinic Anhydride, (I),
2-(2-Adamantylidene)-3-(9-fluorenylidene)succinic Anhydride, (II),
and 2-(9-Fluorenylidene)-3-(3,4,5-trimethoxybenzylidene)succinic
Anhydride, (III)
;
loop_
_publ_author_name
  'Kaftory, Menahem'
  'Goldberg, Yulia'
  'Goldberg, Stephen, Z.'
  'Botoshansky, Mark '
_chemical_name_common  'FULGID-2'
_chemical_formula_sum  'C27 H22 O3'
_chemical_formula_weight  394.45
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  11.939(3)
_cell_length_b  10.251(3)
_cell_length_c  8.731(2)
_cell_angle_alpha  100.45(2)
_cell_angle_beta  100.32(2)
_cell_angle_gamma  67.65(2)
_cell_volume  964.7(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.358
_diffrn_ambient_temperature  293(2)
_refine_ls_R_factor_obs  .0783
_refine_ls_wR_factor_obs  .1725
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  O1  .8665(5)  .1753(6)  .6068(6)  .0335(14) Uani d . 1 . O
  O2 1.0682(6)  .0948(6)  .6154(7)  .047(2) Uani d . 1 . O
  O3  .6651(6)  .2599(7)  .5369(6)  .046(2) Uani d . 1 . O
  C1  .9735(7)  .1622(8)  .5502(9)  .030(2) Uani d . 1 . C
  C2  .9354(8)  .2368(8)  .4061(9)  .034(2) Uani d . 1 . C
  C3  .8067(8)  .2461(8)  .3568(9)  .037(2) Uani d . 1 . C
  C4  .7650(8)  .2314(8)  .5023(9)  .031(2) Uani d . 1 . C
  C5 1.0046(7)  .3015(8)  .3628(9)  .031(2) Uani d . 1 . C
  C6  .9473(7)  .4262(8)  .2698(9)  .029(2) Uani d . 1 . C
  C7 1.0434(7)  .4730(8)  .2568(9)  .031(2) Uani d . 1 . C
  C8 1.1576(8)  .3794(9)  .3332(10)  .041(2) Uani d . 1 . C
  C9 1.1368(8)  .2765(9)  .3994(10)  .038(2) Uani d . 1 . C
  C10 1.2320(8)  .1738(9)  .4737(10)  .043(2) Uani d . 1 . C
  H10 1.2204  .1008  .5106  .052 Uiso calc . 1 . H
  C11 1.3463(9)  .1843(13)  .4910(11)  .062(3) Uani d . 1 . C
  H11 1.4117  .1183  .5440  .075 Uiso calc . 1 . H
  C12 1.3670(10)  .2897(15)  .4323(12)  .069(3) Uani d . 1 . C
  H12 1.4443  .2953  .4484  .082 Uiso calc . 1 . H
  C13 1.2721(9)  .3845(11)  .3507(11)  .051(3) Uani d . 1 . C
  H13 1.2853  .4529  .3069  .062 Uiso calc . 1 . H
  C14 1.0181(11)  .5879(10)  .1787(11)  .051(3) Uani d . 1 . C
  H14 1.0811  .6133  .1604  .061 Uiso calc . 1 . H
  C15  .9006(12)  .6640(9)  .1287(11)  .056(3) Uani d . 1 . C
  H15  .8840  .7435  .0792  .067 Uiso calc . 1 . H
  C16  .8046(9)  .6267(8)  .1490(10)  .045(2) Uani d . 1 . C
  H16  .7247  .6795  .1125  .055 Uiso calc . 1 . H
  C17  .8306(8)  .5082(8)  .2256(9)  .033(2) Uani d . 1 . C
  H17  .7669  .4853  .2464  .039 Uiso calc . 1 . H
  C18  .7509(8)  .2228(8)  .2130(9)  .033(2) Uani d . 1 . C
  C19  .6335(7)  .1964(9)  .1831(9)  .037(2) Uani d . 1 . C
  H19  .6004  .2125  .2827  .044 Uiso calc . 1 . H
  C20  .6567(9)  .0430(10)  .1096(9)  .044(2) Uani d . 1 . C
  H20A  .7127  -.0212  .1816  .053 Uiso calc . 1 . H
  H20B  .5807  .0256  .0900  .053 Uiso calc . 1 . H
  C21  .7106(8)  .0149(9)  -.0443(9)  .038(2) Uani d . 1 . C
  H21  .7273  -.0843  -.0904  .045 Uiso calc . 1 . H
  C22  .8290(8)  .0473(9)  -.0117(9)  .038(2) Uani d . 1 . C
  H22A  .8633  .0316  -.1091  .046 Uiso calc . 1 . H
  H22B  .8882  -.0162  .0588  .046 Uiso calc . 1 . H
  C23  .8026(7)  .2018(8)  .0623(8)  .029(2) Uani d . 1 . C
  H23  .8787  .2212  .0838  .034 Uiso calc . 1 . H
  C24  .7115(9)  .3012(8)  -.0532(9)  .039(2) Uani d . 1 . C
  H24A  .6938  .3996  -.0082  .047 Uiso calc . 1 . H
  H24B  .7460  .2865  -.1502  .047 Uiso calc . 1 . H
  C25  .5955(8)  .2675(9)  -.0854(9)  .037(2) Uani d . 1 . C
  H25  .5367  .3305  -.1585  .045 Uiso calc . 1 . H
  C26  .6200(8)  .1153(8)  -.1570(9)  .035(2) Uani d . 1 . C
  H26A  .6532  .0985  -.2554  .042 Uiso calc . 1 . H
  H26B  .5443  .0971  -.1785  .042 Uiso calc . 1 . H
  C27  .5413(8)  .2971(10)  .0717(10)  .044(2) Uani d . 1 . C
  H27A  .5259  .3951  .1171  .052 Uiso calc . 1 . H
  H27B  .4647  .2810  .0537  .052 Uiso calc . 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  .028(3)  .055(4)  .022(3)  -.023(3)  -.009(2)  .010(3)
  O2  .071(5)  .026(3)  .041(4)  -.015(3)  .003(3)  .010(3)
  O3  .048(4)  .089(5)  .013(3)  -.038(4)  .001(3)  .007(3)
  C1  .033(5)  .021(4)  .030(5)  -.012(4)  -.011(4)  -.001(4)
  C2  .041(5)  .033(5)  .026(4)  -.013(4)  .014(4)  -.007(4)
  C3  .066(6)  .025(4)  .030(5)  -.016(4)  .032(5)  .005(4)
  C4  .038(5)  .039(5)  .025(4)  -.024(4)  .005(4)  .002(4)
  C5  .046(5)  .020(4)  .030(4)  -.010(4)  .027(4)  -.010(3)
  C6  .045(5)  .026(4)  .026(4)  -.024(4)  .010(4)  -.002(3)
  C7  .041(5)  .027(5)  .031(4)  -.020(4)  .008(4)  -.005(4)
  C8  .039(6)  .053(6)  .040(5)  -.033(5)  .020(4)  -.023(4)
  C9  .035(5)  .037(5)  .040(5)  -.010(4)  .024(4)  -.011(4)
  C10  .046(6)  .039(5)  .037(5)  -.003(5)  .021(4)  -.002(4)
  C11  .043(6)  .088(8)  .036(6)  -.009(6)  .009(5)  -.015(6)
  C12  .049(7)  .119(10)  .039(6)  -.039(7)  .023(5)  -.026(7)
  C13  .048(6)  .074(7)  .042(6)  -.041(6)  .011(5)  -.016(5)
  C14  .086(8)  .042(6)  .041(5)  -.041(6)  .024(5)  -.012(5)
  C15  .110(10)  .025(5)  .038(6)  -.027(6)  .017(6)  -.001(4)
  C16  .072(7)  .021(5)  .041(5)  -.018(5)  -.004(5)  .006(4)
  C17  .056(6)  .022(4)  .020(4)  -.013(4)  .016(4)  -.003(3)
  C18  .056(6)  .032(5)  .017(4)  -.015(4)  .023(4)  -.001(3)
  C19  .036(5)  .055(6)  .033(5)  -.028(4)  .012(4)  .010(4)
  C20  .079(7)  .051(6)  .024(5)  -.046(5)  .006(4)  .006(4)
  C21  .057(6)  .042(5)  .032(5)  -.039(5)  -.002(4)  .009(4)
  C22  .055(6)  .033(5)  .030(5)  -.015(4)  .014(4)  .007(4)
  C23  .045(5)  .028(4)  .020(4)  -.019(4)  .011(4)  -.002(3)
  C24  .071(6)  .027(5)  .029(5)  -.026(4)  .009(4)  .006(4)
  C25  .048(5)  .046(5)  .025(4)  -.025(4)  -.008(4)  .014(4)
  C26  .051(6)  .030(5)  .035(5)  -.025(4)  .009(4)  .004(4)
  C27  .037(5)  .060(6)  .039(5)  -.031(5)  -.004(4)  -.003(4)
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 C4 . 1.376(9) ?
  O1 C1 . 1.403(9) ?
  O2 C1 . 1.182(9) ?
  O3 C4 . 1.196(9) ?
  C1 C2 . 1.501(11) ?
  C2 C5 . 1.374(11) ?
  C2 C3 . 1.490(12) ?
  C3 C18 . 1.338(12) ?
  C3 C4 . 1.496(11) ?
  C5 C9 . 1.484(12) ?
  C5 C6 . 1.508(11) ?
  C6 C17 . 1.354(11) ?
  C6 C7 . 1.429(11) ?
  C7 C14 . 1.375(12) ?
  C7 C8 . 1.461(12) ?
  C8 C13 . 1.368(12) ?
  C8 C9 . 1.407(12) ?
  C9 C10 . 1.377(12) ?
  C10 C11 . 1.389(14) ?
  C11 C12 . 1.39(2) ?
  C12 C13 . 1.36(2) ?
  C14 C15 . 1.356(15) ?
  C15 C16 . 1.386(14) ?
  C16 C17 . 1.398(11) ?
  C18 C23 . 1.499(10) ?
  C18 C19 . 1.496(11) ?
  C19 C27 . 1.529(12) ?
  C19 C20 . 1.526(12) ?
  C20 C21 . 1.527(11) ?
  C21 C22 . 1.540(12) ?
  C21 C26 . 1.528(12) ?
  C22 C23 . 1.532(11) ?
  C23 C24 . 1.541(11) ?
  C24 C25 . 1.518(12) ?
  C25 C26 . 1.509(11) ?
  C25 C27 . 1.553(12) ?