#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2013784.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_2013784
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2004
_journal_volume  60
_journal_page_first  o156
_journal_page_last  o157
_publ_section_title
;
sp-9-(o-Methylphenyl)fluorene
;
loop_
_publ_author_name
  'Meyers, Cal Y.'
  'Robinson, Paul D.'
  'McLean, Aaron W.'
_chemical_formula_moiety  'C20 H16'
_chemical_formula_sum  'C20 H16'
_chemical_formula_iupac  'C20 H16'
_chemical_formula_weight  256.33
_chemical_melting_point  .363E-305
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y-1/2, z-1/2'
_cell_length_a  12.9887(17)
_cell_length_b  6.075(2)
_cell_length_c  18.7903(16)
_cell_angle_alpha  90
_cell_angle_beta  104.701(8)
_cell_angle_gamma  90
_cell_volume  1434.1(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.187
_diffrn_ambient_temperature  296
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 0.47360(17) 0.4216(4) 0.39627(13) 0.0623(7) Uani d . 1 . . C
  C2 0.55518(19) 0.5692(5) 0.39790(14) 0.0724(8) Uani d . 1 . . C
  C3 0.5442(2) 0.7322(5) 0.34593(15) 0.0764(8) Uani d . 1 . . C
  C4 0.4512(2) 0.7534(4) 0.29098(14) 0.0705(7) Uani d . 1 . . C
  C4a 0.36868(18) 0.6061(4) 0.28905(11) 0.0551(6) Uani d . 1 . . C
  C4b 0.26137(18) 0.5909(4) 0.23986(12) 0.0583(6) Uani d . 1 . . C
  C5 0.2098(2) 0.7248(5) 0.18170(14) 0.0780(8) Uani d . 1 . . C
  C6 0.1062(3) 0.6768(6) 0.14583(14) 0.0918(10) Uani d . 1 . . C
  C7 0.0542(2) 0.4980(7) 0.16644(14) 0.0893(10) Uani d . 1 . . C
  C8 0.10501(19) 0.3642(5) 0.22441(13) 0.0756(8) Uani d . 1 . . C
  C8a 0.20878(17) 0.4130(4) 0.26142(11) 0.0572(6) Uani d . 1 . . C
  C9 0.27986(16) 0.3003(4) 0.32818(11) 0.0531(6) Uani d . 1 . . C
  C9a 0.38099(16) 0.4391(4) 0.34154(12) 0.0515(6) Uani d . 1 . . C
  C10 0.23389(16) 0.2900(4) 0.39546(11) 0.0539(6) Uani d . 1 . . C
  C11 0.25802(19) 0.1221(4) 0.44706(14) 0.0676(7) Uani d . 1 . . C
  C12 0.2123(2) 0.1281(6) 0.50783(14) 0.0787(8) Uani d . 1 . . C
  C13 0.1495(2) 0.3029(6) 0.51686(16) 0.0859(9) Uani d . 1 . . C
  C14 0.1284(2) 0.4708(6) 0.46847(15) 0.0854(9) Uani d . 1 . . C
  C15 0.16843(17) 0.4625(5) 0.40754(13) 0.0687(7) Uani d . 1 . . C
  C16 0.3297(3) -0.0595(5) 0.44158(19) 0.1017(10) Uani d . 1 . . C
  H1 0.4813 0.3119 0.4318 0.075 Uiso calc R 1 . . H
  H2 0.6182 0.5579 0.4346 0.087 Uiso calc R 1 . . H
  H3 0.6000 0.8296 0.3477 0.092 Uiso calc R 1 . . H
  H4 0.4440 0.8643 0.2559 0.085 Uiso calc R 1 . . H
  H5 0.2447 0.8441 0.1674 0.094 Uiso calc R 1 . . H
  H6 0.0704 0.7658 0.1071 0.110 Uiso calc R 1 . . H
  H7 -0.0157 0.4675 0.1411 0.107 Uiso calc R 1 . . H
  H8 0.0701 0.2440 0.2382 0.091 Uiso calc R 1 . . H
  H9 0.2956 0.1506 0.3146 0.064 Uiso calc R 1 . . H
  H12 0.2248 0.0135 0.5418 0.094 Uiso calc R 1 . . H
  H13 0.1208 0.3052 0.5575 0.103 Uiso calc R 1 . . H
  H14 0.0875 0.5899 0.4762 0.103 Uiso calc R 1 . . H
  H15 0.1516 0.5752 0.3730 0.082 Uiso calc R 1 . . H
  H16A 0.3126 -0.1140 0.3920 0.153 Uiso calc R 1 . . H
  H16B 0.3216 -0.1757 0.4744 0.153 Uiso calc R 1 . . H
  H16C 0.4019 -0.0079 0.4548 0.153 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 0.0531(13) 0.0756(17) 0.0583(13) -0.0021(12) 0.0142(11) 0.0058(13)
  C2 0.0563(14) 0.096(2) 0.0649(15) -0.0114(15) 0.0157(12) -0.0004(15)
  C3 0.0658(16) 0.092(2) 0.0765(17) -0.0238(15) 0.0279(14) -0.0057(16)
  C4 0.0800(18) 0.0718(18) 0.0688(16) -0.0058(14) 0.0352(14) 0.0049(13)
  C4a 0.0564(13) 0.0647(15) 0.0501(12) 0.0042(12) 0.0243(10) -0.0003(11)
  C4b 0.0617(14) 0.0725(16) 0.0460(12) 0.0121(12) 0.0232(11) 0.0021(12)
  C5 0.0829(19) 0.097(2) 0.0582(15) 0.0223(16) 0.0259(14) 0.0165(15)
  C6 0.087(2) 0.134(3) 0.0544(16) 0.039(2) 0.0168(15) 0.0165(18)
  C7 0.0618(16) 0.151(3) 0.0522(16) 0.0203(19) 0.0087(13) -0.0058(18)
  C8 0.0592(15) 0.114(2) 0.0534(14) -0.0002(16) 0.0131(12) -0.0049(15)
  C8a 0.0517(12) 0.0780(17) 0.0432(11) 0.0073(12) 0.0147(10) -0.0030(12)
  C9 0.0505(12) 0.0593(14) 0.0510(12) 0.0005(11) 0.0157(10) -0.0019(11)
  C9a 0.0494(12) 0.0604(14) 0.0492(12) 0.0023(11) 0.0209(10) -0.0029(11)
  C10 0.0470(12) 0.0682(16) 0.0450(12) -0.0147(11) 0.0088(9) -0.0003(11)
  C11 0.0606(15) 0.0704(17) 0.0679(16) -0.0177(13) 0.0095(12) 0.0047(14)
  C12 0.0755(17) 0.094(2) 0.0626(16) -0.0289(17) 0.0104(14) 0.0114(15)
  C13 0.0716(18) 0.122(3) 0.0673(18) -0.0227(19) 0.0234(15) -0.0060(19)
  C14 0.0678(16) 0.120(3) 0.0744(18) -0.0059(17) 0.0284(14) -0.0142(19)
  C15 0.0519(13) 0.100(2) 0.0594(14) -0.0103(14) 0.0238(11) -0.0147(14)
  C16 0.123(3) 0.072(2) 0.116(3) -0.005(2) 0.041(2) 0.0086(19)
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 C9a . 1.374(3) no
  C1 C2 . 1.382(3) no
  C2 C3 . 1.372(4) no
  C3 C4 . 1.381(4) no
  C4 C4a . 1.390(3) no
  C4a C9a . 1.396(3) no
  C4a C4b . 1.467(3) no
  C4b C5 . 1.390(3) no
  C4b C8a . 1.393(3) no
  C5 C6 . 1.375(4) no
  C6 C7 . 1.385(5) no
  C7 C8 . 1.385(4) no
  C8a C8 . 1.383(3) no
  C8a C9 . 1.519(3) no
  C9a C9 . 1.527(3) no
  C9 C10 . 1.530(3) no
  C10 C11 . 1.387(3) no
  C10 C15 . 1.403(3) no
  C11 C12 . 1.415(4) no
  C11 C16 . 1.464(4) no
  C12 C13 . 1.376(4) no
  C13 C14 . 1.348(4) no
  C14 C15 . 1.374(3) no
  C1 H1 . 0.9300 no
  C2 H2 . 0.9300 no
  C3 H3 . 0.9300 no
  C4 H4 . 0.9300 no
  C5 H5 . 0.9300 no
  C6 H6 . 0.9300 no
  C7 H7 . 0.9300 no
  C8 H8 . 0.9300 no
  C9 H9 . 0.9800 no
  C12 H12 . 0.9300 no
  C13 H13 . 0.9300 no
  C14 H14 . 0.9300 no
  C15 H15 . 0.9300 no
  C16 H16A . 0.9600 no
  C16 H16B . 0.9600 no
  C16 H16C . 0.9600 no