A chromotropic bi(benzofuranonyl)
Mori, Y.; Kubota, I.; Watanabe, Y.; Maeda, K.; Acta Crystallographica Section C 50 (1994) 1143–1145; doi:10.1107/S0108270193012089

data_2009891
_publ_section_title
;
 A chromotropic bi(benzofuranonyl)
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1143
_journal_page_last               1145
_journal_paper_doi               10.1107/S0108270193012089
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C28 H16 Cl2 O4'
_chemical_formula_sum            'C28 H16 Cl2 O4'
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_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
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_cell_angle_beta                 108.24(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   12.250(4)
_cell_length_b                   20.420(8)
_cell_length_c                   9.633(4)
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_cell_measurement_temperature    294
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.5
_cell_volume                     2288.6(16)
_diffrn_measurement_device       'Rigaku AFC-5'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
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_diffrn_reflns_limit_l_max       11
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_diffrn_standards_interval_count 50
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_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w =1/[\s^2^(F) + 0.001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.055
_reflns_number_observed          2864
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_cod_data_source_file            oh1055.cif
_cod_data_source_block           oh1055_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w =1/[\s^2^(F) + 0.001F^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) +
0.001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2288.5(16)
_cod_original_sg_symbol_H-M      'P 21/n'
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