data_2006508
_journal_name_full   'Acta Crystallographica'
_journal_year   1997
_journal_volume   C53
_journal_page_first   1354
_journal_page_last   1356
_publ_section_title
;
6,6-Diphenylfulvene at 140 K
;
loop_
_publ_author_name
  'Bolte, Michael'
  'Amon, Michael'
_chemical_formula_sum   'C18 H14'
_chemical_formula_weight   230.29
_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   10.00330(10)
_cell_length_b   10.03820(10)
_cell_length_c   14.30450(10)
_cell_angle_alpha   90.6190(10)
_cell_angle_beta   99.8050(10)
_cell_angle_gamma   113.0530(10)
_cell_volume   1297.61(2)
_cell_formula_units_Z   4
_cell_measurement_temperature   140
_exptl_crystal_density_diffrn   1.179
_diffrn_ambient_temperature   140
_refine_ls_R_factor_obs  .0417
_refine_ls_wR_factor_obs  .0909
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
  C1  .20552(15) 1.10255(15)  .45653(10)  .0242(3) Uani d . 1 . C
  H1  .1294 1.0281  .4135  .029 Uiso calc R 1 . H
  C2  .18543(16) 1.17658(15)  .52875(10)  .0277(3) Uani d . 1 . C
  H2  .0926 1.1645  .5437  .033 Uiso calc R 1 . H
  C3  .33055(16) 1.27861(16)  .58009(11)  .0290(3) Uani d . 1 . C
  H3  .3470 1.3413  .6349  .035 Uiso calc R 1 . H
  C4  .43707(16) 1.26923(15)  .53690(10)  .0256(3) Uani d . 1 . C
  H4  .5404 1.3252  .5554  .031 Uiso calc R 1 . H
  C5  .36514(15) 1.15676(14)  .45578(10)  .0221(3) Uani d . 1 . C
  C6  .43059(15) 1.11233(14)  .39242(9)  .0214(3) Uani d . 1 . C
  C11  .59085(15) 1.18940(14)  .38872(9)  .0223(3) Uani d . 1 . C
  C12  .66055(16) 1.34213(15)  .39759(10)  .0283(3) Uani d . 1 . C
  H12  .6041 1.3980  .4032  .034 Uiso calc R 1 . H
  C13  .81168(17) 1.41214(17)  .39821(12)  .0353(4) Uani d . 1 . C
  H13  .8576 1.5153  .4045  .042 Uiso calc R 1 . H
  C14  .89541(16) 1.33176(17)  .38964(11)  .0341(4) Uani d . 1 . C
  H14  .9987 1.3798  .3913  .041 Uiso calc R 1 . H
  C15  .82749(16) 1.18061(17)  .37855(10)  .0290(3) Uani d . 1 . C
  H15  .8846 1.1257  .3721  .035 Uiso calc R 1 . H
  C16  .67604(15) 1.10947(15)  .37680(10)  .0246(3) Uani d . 1 . C
  H16  .6301 1.0064  .3675  .030 Uiso calc R 1 . H
  C21  .34401(14)  .98211(15)  .32326(10)  .0221(3) Uani d . 1 . C
  C22  .25846(15)  .84836(15)  .35406(10)  .0252(3) Uani d . 1 . C
  H22  .2543  .8401  .4197  .030 Uiso calc R 1 . H
  C23  .17966(16)  .72765(16)  .28864(11)  .0294(3) Uani d . 1 . C
  H23  .1233  .6371  .3101  .035 Uiso calc R 1 . H
  C24  .18293(16)  .73872(16)  .19219(11)  .0317(4) Uani d . 1 . C
  H24  .1278  .6563  .1479  .038 Uiso calc R 1 . H
  C25  .26706(16)  .87060(17)  .16074(11)  .0314(3) Uani d . 1 . C
  H25  .2688  .8785  .0948  .038 Uiso calc R 1 . H
  C26  .34882(15)  .99134(16)  .22578(10)  .0264(3) Uani d . 1 . C
  H26  .4082 1.0805  .2041  .032 Uiso calc R 1 . H
  C1A  .58264(16)  .24610(15)  .05998(10)  .0256(3) Uani d . 1 . C
  H1A  .4798  .1875  .0524  .031 Uiso calc R 1 . H
  C2A  .68961(17)  .24161(16)  .13027(11)  .0300(3) Uani d . 1 . C
  H2A  .6738  .1799  .1808  .036 Uiso calc R 1 . H
  C3A  .83399(16)  .34716(16)  .11612(11)  .0296(3) Uani d . 1 . C
  H3A  .9269  .3631  .1549  .035 Uiso calc R 1 . H
  C4A  .81280(15)  .41793(15)  .03878(10)  .0242(3) Uani d . 1 . C
  H4A  .8881  .4937  .0152  .029 Uiso calc R 1 . H
  C5A  .65335(15)  .35794(14)  -.00296(10)  .0217(3) Uani d . 1 . C
  C6A  .58792(14)  .39710(14)  -.08337(9)  .0205(3) Uani d . 1 . C
  C11A  .67203(14)  .52606(14)  -.13183(10)  .0212(3) Uani d . 1 . C
  C12A  .76224(15)  .66085(15)  -.08059(10)  .0255(3) Uani d . 1 . C
  H12A  .7693  .6716  -.0136  .031 Uiso calc R 1 . H
  C13A  .84134(16)  .77869(16)  -.12766(11)  .0313(3) Uani d . 1 . C
  H13A  .9025  .8692  -.0926  .038 Uiso calc R 1 . H
  C14A  .83122(16)  .76439(16)  -.22567(11)  .0315(3) Uani d . 1 . C
  H14A  .8861  .8448  -.2573  .038 Uiso calc R 1 . H
  C15A  .74082(16)  .63256(16)  -.27751(11)  .0285(3) Uani d . 1 . C
  H15A  .7335  .6230  -.3445  .034 Uiso calc R 1 . H
  C16A  .66099(15)  .51455(15)  -.23120(10)  .0233(3) Uani d . 1 . C
  H16A  .5983  .4251  -.2671  .028 Uiso calc R 1 . H
  C21A  .42912(14)  .31372(14)  -.12802(9)  .0209(3) Uani d . 1 . C
  C22A  .36376(15)  .16077(15)  -.13462(10)  .0260(3) Uani d . 1 . C
  H22A  .4223  .1080  -.1132  .031 Uiso calc R 1 . H
  C23A  .21337(16)  .08627(16)  -.17239(11)  .0310(3) Uani d . 1 . C
  H23A  .1699  -.0169  -.1759  .037 Uiso calc R 1 . H
  C24A  .12674(16)  .16197(16)  -.20492(11)  .0293(3) Uani d . 1 . C
  H24A  .0240  .1109  -.2294  .035 Uiso calc R 1 . H
  C25A  .19110(15)  .31306(15)  -.20153(10)  .0254(3) Uani d . 1 . C
  H25A  .1325  .3649  -.2248  .030 Uiso calc R 1 . H
  C26A  .34113(15)  .38828(15)  -.16417(9)  .0222(3) Uani d . 1 . C
  H26A  .3844  .4912  -.1631  .027 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
  C1  .0221(7)  .0241(7)  .0244(7)  .0073(6)  .0035(6)  .0062(6)
  C2  .0258(8)  .0303(8)  .0296(8)  .0124(6)  .0094(6)  .0069(6)
  C3  .0334(8)  .0288(8)  .0259(8)  .0133(6)  .0066(6)  -.0009(6)
  C4  .0238(7)  .0248(7)  .0251(7)  .0073(6)  .0023(6)  .0004(6)
  C5  .0213(7)  .0216(7)  .0217(7)  .0073(6)  .0026(6)  .0041(5)
  C6  .0218(7)  .0224(7)  .0190(7)  .0087(5)  .0011(5)  .0050(5)
  C11  .0223(7)  .0257(7)  .0170(7)  .0082(6)  .0026(5)  .0032(5)
  C12  .0278(8)  .0264(7)  .0307(8)  .0099(6)  .0076(6)  .0034(6)
  C13  .0291(8)  .0279(8)  .0414(9)  .0023(6)  .0093(7)  .0033(7)
  C14  .0211(7)  .0422(9)  .0324(9)  .0056(7)  .0051(6)  .0045(7)
  C15  .0262(8)  .0403(9)  .0237(8)  .0168(7)  .0045(6)  .0050(6)
  C16  .0258(7)  .0280(7)  .0191(7)  .0104(6)  .0028(6)  .0038(6)
  C21  .0188(7)  .0255(7)  .0234(7)  .0110(6)  .0024(6)  .0007(6)
  C22  .0237(7)  .0252(7)  .0264(8)  .0103(6)  .0027(6)  .0032(6)
  C23  .0236(7)  .0237(7)  .0396(9)  .0091(6)  .0034(6)  .0002(6)
  C24  .0234(7)  .0323(8)  .0372(9)  .0116(6)  -.0006(7)  -.0109(7)
  C25  .0270(8)  .0441(9)  .0240(8)  .0163(7)  .0029(6)  -.0056(7)
  C26  .0236(7)  .0302(8)  .0261(8)  .0108(6)  .0065(6)  .0029(6)
  C1A  .0255(7)  .0241(7)  .0259(8)  .0079(6)  .0060(6)  .0037(6)
  C2A  .0360(8)  .0292(8)  .0278(8)  .0155(7)  .0075(7)  .0082(6)
  C3A  .0270(8)  .0343(8)  .0281(8)  .0156(6)  -.0011(6)  -.0001(6)
  C4A  .0208(7)  .0251(7)  .0260(8)  .0087(6)  .0043(6)  -.0002(6)
  C5A  .0220(7)  .0215(7)  .0220(7)  .0088(5)  .0054(6)  .0006(5)
  C6A  .0204(7)  .0200(6)  .0218(7)  .0082(5)  .0058(6)  -.0008(5)
  C11A  .0163(6)  .0238(7)  .0244(7)  .0089(5)  .0041(5)  .0031(5)
  C12A  .0251(7)  .0250(7)  .0253(8)  .0089(6)  .0041(6)  .0020(6)
  C13A  .0286(8)  .0220(7)  .0382(9)  .0058(6)  .0036(7)  .0029(6)
  C14A  .0284(8)  .0293(8)  .0366(9)  .0096(6)  .0094(7)  .0143(7)
  C15A  .0264(8)  .0366(8)  .0247(8)  .0140(6)  .0066(6)  .0086(6)
  C16A  .0204(7)  .0248(7)  .0239(7)  .0090(6)  .0020(6)  .0018(6)
  C21A  .0200(7)  .0234(7)  .0183(7)  .0072(5)  .0047(5)  .0000(5)
  C22A  .0242(7)  .0238(7)  .0298(8)  .0103(6)  .0024(6)  .0010(6)
  C23A  .0274(8)  .0218(7)  .0386(9)  .0055(6)  .0035(7)  -.0021(6)
  C24A  .0185(7)  .0311(8)  .0330(8)  .0063(6)  .0007(6)  -.0047(6)
  C25A  .0223(7)  .0308(7)  .0245(7)  .0125(6)  .0035(6)  .0008(6)
  C26A  .0240(7)  .0225(7)  .0203(7)  .0087(6)  .0060(6)  .0010(5)
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 C2 . 1.353(2) y
  C1 C5 . 1.473(2) y
  C2 C3 . 1.467(2) y
  C3 C4 . 1.352(2) y
  C4 C5 . 1.480(2) y
  C5 C6 . 1.368(2) y
  C6 C11 . 1.4932(18) ?
  C6 C21 . 1.4937(18) ?
  C11 C16 . 1.4075(19) ?
  C11 C12 . 1.4076(19) ?
  C12 C13 . 1.394(2) ?
  C13 C14 . 1.389(2) ?
  C14 C15 . 1.393(2) ?
  C15 C16 . 1.395(2) ?
  C21 C22 . 1.4038(19) ?
  C21 C26 . 1.406(2) ?
  C22 C23 . 1.393(2) ?
  C23 C24 . 1.390(2) ?
  C24 C25 . 1.390(2) ?
  C25 C26 . 1.394(2) ?
  C1A C2A . 1.353(2) y
  C1A C5A . 1.479(2) y
  C2A C3A . 1.468(2) y
  C3A C4A . 1.352(2) y
  C4A C5A . 1.476(2) y
  C5A C6A . 1.364(2) y
  C6A C11A . 1.4931(18) ?
  C6A C21A . 1.4945(18) ?
  C11A C16A . 1.4067(19) ?
  C11A C12A . 1.4069(18) ?
  C12A C13A . 1.3943(19) ?
  C13A C14A . 1.390(2) ?
  C14A C15A . 1.390(2) ?
  C15A C16A . 1.3915(19) ?
  C21A C26A . 1.4041(19) ?
  C21A C22A . 1.4083(19) ?
  C22A C23A . 1.396(2) ?
  C23A C24A . 1.390(2) ?
  C24A C25A . 1.393(2) ?
  C25A C26A . 1.3924(19) ?