2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-α,α-trehalose
Linden, A.; Lee, C. K.; Acta Crystallographica Section C 51 (1995) 751–754; doi:10.1107/S0108270194011595

data_2003399
_publ_section_title
2,2',3,3'-Tetra-<i>O</i>-benzoyl-6,6'-dideoxy-4,4'-di-<i>O</i>-mesyl-6,6'-dithiocyanato-\a,\a-trehalose
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              751
_journal_page_last               754
_journal_paper_doi               10.1107/S0108270194011595
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C44 H40 N2 O17 S4'
_chemical_formula_sum            'C44 H40 N2 O17 S4'
_chemical_formula_weight         997.04
_chemical_name_common
; 2,2',3,3'-Tetra-O-benzoyl-6,6'-dideoxy-4,4'-di-O-mesyl-
6,6'-dithiocyanato-\a,\a-trehalose
;
_chemical_name_systematic
; 2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-\a-D-glucoopyranosyl
2,3-di-O-benzoyl-6-deoxy-4-O-mesyl-6-thiocyanato-\a-D-glucoopyranoside
;
_space_group_IT_number           19
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_cell_angle_gamma                90
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_cell_measurement_temperature    173(1)
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_cell_measurement_theta_min      14
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_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
 1991)
;
_computing_data_reduction
'PROCESS TEXSAN (Molecular Structure Corporation, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'FINISH TEXSAN'
_computing_structure_refinement  'LS TEXSAN'
_computing_structure_solution    'SHELXS86 direct methods (Sheldrick, 1990)'
_diffrn_ambient_temperature      173.0(10)
_diffrn_measurement_device       'Rigaku AFC-5R diffractometer'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode generator'
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_refine_ls_abs_structure_details 'see text'
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma w=1/[\s^2^(F~o~)+(0.01F~o~)^2^]'
_refine_ls_wR_factor_all         0.0423
_refine_ls_wR_factor_obs         0.0381
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_reflns_observed_criterion       'I > 3\s(I)'
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