#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/10/2001005.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001005
loop_
_publ_author_name
'Olivé, J. L.'
'Saaedan, A.'
'El Amoudi, M. S.'
'Geneste, P.'
'Rambaud, J.'
'Declercq, J.-P.'
_publ_section_title
;
 Structure of the head-to-tail cis-anti-cis
 photodimer of 2-methylbenzo[b]thiophene 1,1-dioxide
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              501
_journal_page_last               503
_journal_paper_doi               10.1107/S0108270191009198
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C18 H16 O4 S2'
_chemical_formula_weight         360.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.13(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9180(10)
_cell_length_b                   12.2700(10)
_cell_length_c                   9.2830(10)
_cell_volume                     764.14(17)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54178
_exptl_absorpt_coefficient_mu    3.29
_exptl_crystal_density_diffrn    1.56
_exptl_crystal_F_000             376
_cod_data_source_file            al0473.cif
_cod_data_source_block           al0473a
_cod_original_cell_volume        764.1(2)
_cod_database_code               2001005
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S(1) .75316(6) .08137(3) .87436
O(1) .8752(2) .17757(13) .90068(18)
O(2) .8472(2) -.01916(13) .84644(15)
C(2) .6162(3) .06329(14) 1.01790(18)
C(3) .3921(3) .05876(15) .93490(19)
C(4) .1878(3) .08848(15) .6649(3)
C(5) .1892(3) .1146(2) .5217(2)
C(6) .3645(3) .13613(17) .4797(2)
C(7) .5439(3) .12962(14) .5848(2)
C(3a) .3667(4) .08296(12) .7719(3)
C(7a) .5395(3) .10163(16) .7293(2)
C(21) .6812(4) .14894(16) 1.1392(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O(1) S(1) 1.4370(10)
O(2) S(1) 1.447(2)
C(2) S(1) 1.827(2)
C(7a) S(1) 1.757(2)
C(3) C(2) 1.554(2)
C(21) C(2) 1.526(3)
C(3a) C(3) 1.510(3)
C(5) C(4) 1.370(3)
C(3a) C(4) 1.387(3)
C(6) C(5) 1.387(3)
C(7) C(6) 1.381(3)
C(7a) C(7) 1.391(3)
C(7a) C(3a) 1.367(3)
