#------------------------------------------------------------------------------
#$Date: 2018-06-14 04:32:00 +0300 (Thu, 14 Jun 2018) $
#$Revision: 208360 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/00/02/2000234.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_2000234
loop_
_publ_author_name
'Prince, P.'
'Fronczek, F. R.'
'Gandour, R. D.'
_publ_section_title
;
 2,7-Naphthalenediyl bis(p-toluenesulfonate)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2220
_journal_page_last               2222
_journal_paper_doi               10.1107/S0108270191003608
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'C24 H20 O6 S2'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                82.321(10)
_cell_angle_beta                 76.560(8)
_cell_angle_gamma                73.261(8)
_cell_formula_units_Z            2
_cell_length_a                   8.4835(7)
_cell_length_b                   11.801(2)
_cell_length_c                   12.036(2)
_cell_volume                     1119.4(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.54184
_exptl_absorpt_coefficient_mu    2.438
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_F_000             488
_cod_data_source_file            st0495.cif
_cod_data_source_block           st0495a
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-14
;
_cod_database_code               2000234
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
S1 .31557(5) .40685(3) .38225(4)
S2 .88225(5) .99781(3) .17912(3)
O1 .27350(10) .54638(9) .39484(9)
O2 .2621(2) .36240(10) .49570(10)
O3 .4855(2) .36680(10) .3237(2)
O4 .89860(10) .86695(9) .14730(9)
O5 1.0494(2) 1.00820(10) .14160(10)
O6 .7480(2) 1.08040(10) .13520(10)
C1 .4853(2) .64620(10) .31180(10)
C2 .3447(2) .61730(10) .30370(10)
C3 .2605(2) .66080(10) .21310(10)
C4 .3253(2) .73280(10) .12730(10)
C5 .5387(2) .84120(10) .04300(10)
C6 .6770(2) .87540(10) .04890(10)
C7 .7514(2) .83430(10) .14490(10)
C8 .6952(2) .75930(10) .23040(10)
C9 .5527(2) .72240(10) .22490(10)
C10 .4721(2) .76510(10) .13020(10)
C11 .1810(2) .39590(10) .29700(10)
C12 .0138(2) .4062(2) .34600(10)
C13 -.0936(2) .3972(2) .2796(2)
C14 -.0374(3) .3787(2) .1649(2)
C15 .1296(3) .3710(2) .1165(2)
C16 .2416(3) .3778(2) .1818(2)
C17 -.1552(3) .3671(2) .0937(2)
C18 .8279(2) .98850(10) .32910(10)
C19 .6950(2) 1.0733(2) .3841(2)
C20 .6544(3) 1.0658(2) .5020(2)
C21 .7446(2) .97480(10) .56600(10)
C22 .8793(2) .89350(10) .50940(10)
C23 .9235(2) .8984(2) .39110(10)
C24 .6945(3) .9641(2) .6957(2)
H1 .533(2) .6170(10) .3790(10)
H3 .162(2) .6420(10) .2130(10)
H4 .268(2) .766(2) .0640(10)
H5 .490(2) .8620(10) -.0190(10)
H6 .717(2) .9340(10) -.0040(10)
H8 .759(2) .7280(10) .2900(10)
H12 -.025(2) .417(2) .426(2)
H13 -.199(3) .400(2) .313(2)
H15 .178(3) .356(2) .033(2)
H16 .359(3) .377(2) .150(2)
H19 .625(3) 1.141(2) .339(2)
H20 .568(2) 1.112(2) .537(2)
H22 .941(2) .8340(10) .5660(10)
H23 1.002(2) .844(2) .3580(10)
H171 -.197(4) .301(3) .115(2)
H172 -.113(3) .376(2) .023(2)
H173 -.260(4) .455(3) .106(3)
H241 .703(3) 1.030(2) .724(2)
H242 .790(3) .906(2) .728(2)
H243 .612(4) .943(3) .725(3)
