A dimeric (phenylsulfonyl)oxazolidine
Hirschler, J.; Berger, B.; Bolte, M.; Acta Crystallographica Section C 50 (1994) 1279–1281; doi:10.1107/S0108270194000120

data_2009995
_publ_section_title
;
 A dimeric (phenylsulfonyl)oxazolidine
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1279
_journal_page_last               1281
_journal_paper_doi               10.1107/S0108270194000120
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C42 H44 Cl2 N2 O8 S2'
_chemical_formula_sum            'C42 H44 Cl2 N2 O8 S2'
_chemical_formula_weight         839.8
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 126.310(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   30.314(4)
_cell_length_b                   7.3720(10)
_cell_length_c                   23.336(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      40
_cell_measurement_theta_min      30
_cell_volume                     4202.4(12)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.020
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            4993
_diffrn_reflns_theta_max         60
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  92
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.76
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       'transparent block'
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.24
_refine_diff_density_min         -0.30
_refine_ls_extinction_coef       'x = 0.0010(1)'
_refine_ls_extinction_method
' empirical,F* = F/[1 + 0.002xF^2^/sin(2\q)]^0.25^'
_refine_ls_goodness_of_fit_obs   1.86
_refine_ls_number_parameters     514
_refine_ls_number_reflns         3144
_refine_ls_R_factor_obs          0.038
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.000325F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.048
_reflns_number_observed          3144
_reflns_number_total             3342
_reflns_observed_criterion       F>4\s(F)
_cod_data_source_file            sh1080.cif
_cod_data_source_block           sh1080_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.000325F^2^]'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/[\s^2^(F) +
0.000325F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4202.0(10)
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2009995