#------------------------------------------------------------------------------
#$Date: 2016-12-06 15:28:16 +0100 (mar 06 de dic de 2016) $
#$Revision: 188978 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/06/1520648.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_1520648
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 H32 O2 S3'
_chemical_formula_weight         496.73
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.0880(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.8658(2)
_cell_length_b                   11.1475(2)
_cell_length_c                   12.1351(2)
_cell_volume                     2550.40(7)
_diffrn_ambient_temperature      296
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_refine_ls_number_reflns         5370
_refine_ls_R_factor_gt           0.0386
_refine_ls_wR_factor_gt          0.1140
_cod_data_source_file            Acta-Chem-Scand-1999-53-133-140-3.cif
_cod_data_source_block           3
_cod_depositor_comments
;
No atomic coordinates in the paper, a dummy atom was added

 The dummy atom was replaced by unknown values. This is the
 standard way of marking entries in the COD that do not contain
 coordinates.

 Antanas Vaitkus,
 2016-12-06
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1520648
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,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
? ? ? ? ? ? ?
