data_2011526
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1364
_journal_page_last  1366
_publ_section_title
;
4-Vinylbenzoic acid and 9-vinylanthracene
;
loop_
_publ_author_name
  'Yasuda, Nobuhiro'
  'Uekusa, Hidehiro'
  'Ohashi, Yuji'
_chemical_name_common  '9-vinylanthracene'
_chemical_formula_moiety  'C16 H12'
_chemical_formula_sum  'C16 H12'
_chemical_formula_weight  204.26
_chemical_melting_point  338
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 'x, y, z'
  2 '-x, y+1/2, -z+1/2'
  3 '-x, -y, -z'
  4 'x, -y-1/2, z-1/2'
_cell_length_a  9.3873(5)
_cell_length_b  13.9756(10)
_cell_length_c  8.9889(7)
_cell_angle_alpha  90.00
_cell_angle_beta  110.0660(10)
_cell_angle_gamma  90.00
_cell_volume  1107.70(13)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.225
_diffrn_ambient_temperature  293(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
  C1  .00702(15)  .84764(9)  .05231(15)  .0430(3) Uani d . 1 . . C
  C2  .09515(16)  .91436(9)  .16424(15)  .0429(3) Uani d . 1 . . C
  C3  .02277(17)  .97528(10)  .24666(16)  .0470(4) Uani d . 1 . . C
  C4  -.13200(18)  .96879(11)  .21364(17)  .0512(4) Uani d . 1 . . C
  H4  -.1780(18) 1.0117(13)  .270(2)  .061 Uiso d . 1 . . H
  C5  -.22145(16)  .90549(10)  .10070(16)  .0473(4) Uani d . 1 . . C
  C6  -.15131(16)  .84395(9)  .01761(16)  .0445(3) Uani d . 1 . . C
  C7  .07746(17)  .78048(11)  -.03034(19)  .0533(4) Uani d . 1 . . C
  H7  .0357(19)  .7839(12)  -.149(2)  .064 Uiso d . 1 . . H
  C8  .18362(19)  .71803(12)  .0388(2)  .0633(5) Uani d . 1 . . C
  H8A  .226(2)  .7160(14)  .160(3)  .076 Uiso d . 1 . . H
  H8B  .223(2)  .6742(15)  -.021(2)  .076 Uiso d . 1 . . H
  C9  .25412(17)  .92666(11)  .19802(17)  .0502(4) Uani d . 1 . . C
  H9  .3049(19)  .8860(13)  .141(2)  .060 Uiso d . 1 . . H
  C10  .33499(19)  .99125(12)  .30695(19)  .0599(4) Uani d . 1 . . C
  H10  .443(2) 1.0013(14)  .324(2)  .072 Uiso d . 1 . . H
  C11  .2637(2) 1.04895(12)  .3903(2)  .0649(5) Uani d . 1 . . C
  H11  .323(2) 1.0932(15)  .463(2)  .078 Uiso d . 1 . . H
  C12  .1137(2) 1.04172(11)  .36089(18)  .0582(4) Uani d . 1 . . C
  H12  .062(2) 1.0826(13)  .415(2)  .070 Uiso d . 1 . . H
  C13  -.24718(18)  .78051(11)  -.09750(19)  .0551(4) Uani d . 1 . . C
  H13  -.199(2)  .7372(13)  -.151(2)  .066 Uiso d . 1 . . H
  C14  -.3991(2)  .77874(13)  -.1286(2)  .0657(5) Uani d . 1 . . C
  H14  -.462(2)  .7370(15)  -.211(2)  .079 Uiso d . 1 . . H
  C15  -.4670(2)  .83883(14)  -.0457(2)  .0682(5) Uani d . 1 . . C
  H15  -.576(2)  .8356(15)  -.072(2)  .082 Uiso d . 1 . . H
  C16  -.38105(18)  .89963(13)  .0657(2)  .0599(4) Uani d . 1 . . C
  H16  -.426(2)  .9435(14)  .124(2)  .072 Uiso d . 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
  C1  .0504(7)  .0431(7)  .0382(7)  .0045(5)  .0185(6)  .0037(5)
  C2  .0512(7)  .0435(7)  .0351(6)  .0039(5)  .0162(5)  .0051(5)
  C3  .0603(9)  .0449(7)  .0359(7)  .0070(6)  .0165(6)  .0040(5)
  C4  .0617(9)  .0522(8)  .0448(8)  .0142(7)  .0248(7)  .0027(6)
  C5  .0525(8)  .0493(7)  .0439(7)  .0091(6)  .0216(6)  .0092(6)
  C6  .0507(7)  .0433(7)  .0416(7)  .0037(6)  .0184(6)  .0064(5)
  C7  .0535(8)  .0603(9)  .0485(8)  .0021(7)  .0207(6)  -.0105(7)
  C8  .0580(9)  .0578(9)  .0747(11)  .0067(7)  .0237(8)  -.0157(8)
  C9  .0519(8)  .0537(8)  .0463(8)  .0005(6)  .0185(6)  .0030(6)
  C10  .0565(9)  .0624(9)  .0552(9)  -.0066(7)  .0119(7)  .0016(7)
  C11  .0759(11)  .0566(9)  .0513(9)  -.0054(8)  .0079(8)  -.0086(7)
  C12  .0737(11)  .0531(8)  .0440(8)  .0066(7)  .0152(7)  -.0060(6)
  C13  .0570(9)  .0518(8)  .0563(9)  -.0012(7)  .0191(7)  -.0021(7)
  C14  .0584(9)  .0661(10)  .0671(11)  -.0104(8)  .0146(8)  -.0012(8)
  C15  .0498(9)  .0813(12)  .0741(12)  -.0014(8)  .0218(8)  .0089(9)
  C16  .0546(9)  .0696(10)  .0617(10)  .0108(7)  .0277(8)  .0096(8)
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
  C1 C6 . 1.411(2) yes
  C1 C2 . 1.4124(19) yes
  C1 C7 . 1.4857(19) yes
  C2 C9 . 1.428(2) yes
  C2 C3 . 1.4425(19) yes
  C3 C4 . 1.382(2) yes
  C3 C12 . 1.430(2) yes
  C4 H4 .  .974(18) ?
  C4 C5 . 1.390(2) yes
  C5 C16 . 1.424(2) yes
  C5 C6 . 1.4382(19) yes
  C6 C13 . 1.424(2) yes
  C7 H7 . 1.005(19) ?
  C7 C8 . 1.310(2) yes
  C8 H8B .  .97(2) ?
  C8 H8A . 1.02(2) ?
  C9 H9 .  .990(18) ?
  C9 C10 . 1.356(2) yes
  C10 H10 .  .98(2) ?
  C10 C11 . 1.416(3) yes
  C11 H11 .  .94(2) ?
  C11 C12 . 1.344(3) yes
  C12 H12 .  .979(19) ?
  C13 H13 .  .98(2) ?
  C13 C14 . 1.356(2) yes
  C14 H14 .  .97(2) ?
  C14 C15 . 1.412(3) yes
  C15 H15 .  .97(2) ?
  C15 C16 . 1.349(3) yes
  C16 H16 .  .99(2) ?