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#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005320.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_2005320
_journal_name_full 'Acta Crystallographica Section C'
_journal_year       1996
_journal_volume 52
_journal_page_first  2349
_journal_page_last  2351
_publ_section_title
;
C~20~H~10~F~8~, a Divinyl Acetylene
;
_chemical_formula_sum  'C20 H10 F8'
_chemical_formula_weight  402.29
_symmetry_cell_setting  monoclinic
_cell_length_a  9.748(2)
_cell_length_b  19.080(3)
_cell_length_c  9.955(2)
_cell_angle_alpha  90.00
_cell_angle_beta  109.14(1)
_cell_angle_gamma  90.00
_cell_volume  1749(1)
_cell_formula_units_z  4
_exptl_crystal_density_diffrn  1.53
_cell_measurement_temperature  291
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/n '
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 C1 1.0 0.2955(3) -0.0305(1) 0.0422(3) 0.141(2)
 C2 1.0 0.2610(2) 0.0440(1) -0.0082(3) 0.111(1)
 C3 1.0 0.1555(2) 0.06761(9) -0.1213(2) 0.099(1)
 C4 1.0 0.0531(2) 0.01972(9) -0.2116(2) 0.103(1)
 C5 1.0 -0.0374(2) -0.01702(9) -0.2910(2) 0.104(1)
 C6 1.0 -0.1403(2) -0.06484(9) -0.3807(2) 0.106(1)
 C7 1.0 -0.2484(3) -0.0409(1) -0.4908(3) 0.130(2)
 C8 1.0 -0.2824(3) 0.0340(1) -0.5410(3) 0.156(2)
 C9 1.0 0.1349(2) 0.14358(9) -0.1607(2) 0.097(1)
 C10 1.0 -0.0039(2) 0.1701(1) -0.2206(3) 0.112(1)
 C11 1.0 -0.0256(3) 0.2405(1) -0.2569(3) 0.130(2)
 C12 1.0 0.0931(3) 0.2844(1) -0.2341(3) 0.139(2)
 C13 1.0 0.2309(3) 0.2583(1) -0.1759(3) 0.142(2)
 C14 1.0 0.2533(3) 0.1881(1) -0.1390(3) 0.119(1)
 C15 1.0 -0.1227(2) -0.14073(9) -0.3400(2) 0.100(1)
 C16 1.0 -0.1549(3) -0.1932(1) -0.4439(3) 0.123(1)
 C17 1.0 -0.1387(3) -0.2631(1) -0.4034(3) 0.144(2)
 C18 1.0 -0.0906(3) -0.2809(1) -0.2623(3) 0.133(2)
 C19 1.0 -0.0567(3) -0.2296(1) -0.1590(3) 0.134(2)
 C20 1.0 -0.0721(3) -0.1594(1) -0.1996(3) 0.117(1)
 F1A 0.5 0.1984(4) -0.0746(1) -0.0045(5) 0.263(3)
 F1B 0.5 0.3083(5) -0.0326(2) 0.1862(4) 0.215(3)
 F1C 0.5 0.4199(3) -0.0497(2) 0.0454(5) 0.235(2)
 F1D 0.5 0.1931(4) -0.0587(2) 0.0750(4) 0.258(3)
 F1E 0.5 0.4158(5) -0.0384(2) 0.1300(6) 0.344(3)
 F1F 0.5 0.2880(4) -0.0724(1) -0.0738(4) 0.200(3)
 F2 1.0 0.3524(2) 0.08790(6) 0.0843(2) 0.153(1)
 F7 1.0 -0.3513(2) -0.08365(7) -0.5725(2) 0.192(1)
 F8A 0.85 -0.1664(3) 0.07264(9) -0.5154(3) 0.227(2)
 F8B 0.85 -0.3367(3) 0.0360(1) -0.6802(3) 0.242(2)
 F8C 0.85 -0.3649(3) 0.0641(1) -0.4865(3) 0.39(2)
 F8D 0.15 -0.421(1) 0.0400(4) -0.616(1) 0.175(2)
 F8E 0.15 -0.279(1) 0.0714(4) -0.430(1) 0.286(8)
 F8F 0.15 -0.188(1) 0.0654(6) -0.578(1) 0.48(1)
 H10 1.0 -0.085(5) 0.140(2) -0.237(5) 0.15
 H11 1.0 -0.1212 0.2584 -0.2970 0.15
 H12 1.0 0.0789 0.3325 -0.2588 0.18
 H13 1.0 0.3119 0.2886 -0.1607 0.18
 H14 1.0 0.3492 0.1704 -0.0990 0.15
 H16 1.0 -0.1876 -0.1809 -0.5418 0.15
 H17 1.0 -0.1610 -0.2987 -0.4738 0.18
 H18 1.0 -0.0804 -0.3289 -0.2354 0.15
 H19 1.0 -0.0233 -0.2420 -0.0611 0.15
 H20 1.0 -0.0470 -0.1239 -0.1287 0.15
_cod_database_code 2005320