#------------------------------------------------------------------------------
#$Date: 2016-02-02 13:36:29 +0100 (mar 02 de feb de 2016) $
#$Revision: 175419 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/06/1520651.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_1520651
loop_
_publ_author_name
'Hegab, Mohamed I.'
'Abdel-Megeid, Farouk M. E.'
'Gad, Farouk A.'
'Shiba, Sayed A.'
'Sotofte, Inger'
'Moller, Jorgen'
'Senning, Alexander'
_publ_section_title
;
 New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to
 Dispiro Derivatives of 1,2,4-Trithiolane.
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              133
_journal_page_last               140
_journal_paper_doi               10.3891/acta.chem.scand.53-0133
_journal_volume                  53
_journal_year                    1999
_chemical_formula_sum            'C28 H28 O4 S3'
_chemical_formula_weight         524.68
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.7929(2)
_cell_length_b                   10.7929(2)
_cell_length_c                   21.8689(4)
_cell_volume                     2547.44(8)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         2616
_refine_ls_R_factor_gt           0.0500
_refine_ls_wR_factor_gt          0.0958
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-6.cif
_cod_data_source_block           6
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added
;
_cod_database_code               1520651
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-y,1/2+x,3/4+z
3 -x,-y,1/2+z
4 1/2+y,1/2-x,1/4+z
5 1/2+x,1/2-y,1/4-z
6 y,x,-z
7 1/2-x,1/2+y,3/4-z
8 -y,-x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
? ? ? ? ? ? ?
