Bis[2-(3-morpholinobenzofuranyl)]phénylméthane, C~31~H~30~N~2~O~4~
Rodier, N.; M'Saddek, M.; Rammah, M.; Ciamala, K.; Acta Crystallographica Section C 50 (1994) 1173–1176; doi:10.1107/S0108270193012132

data_2009899
_publ_section_title
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 Bis[2-(3-morpholinobenzofuranyl)]ph\'enylm\'ethane, C~31~H~30~N~2~O~4~
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1173
_journal_page_last               1176
_journal_paper_doi               10.1107/S0108270193012132
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C31 H30 N2 O4'
_chemical_formula_sum            'C31 H30 N2 O4'
_chemical_formula_weight         494.60
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 100.400(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   10.2290(10)
_cell_length_b                   27.275(6)
_cell_length_c                   18.897(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      26.86
_cell_measurement_theta_min      15.84
_cell_volume                     5185.6(14)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8090
_diffrn_reflns_theta_max         62
_diffrn_standards_decay_%        '-1.1% (correction de d\'ecroissance)'
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.637
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blanche
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_description       'prisme \`a bases triangulaires'
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.24
_refine_ls_extinction_coef       'g = 1.3(4) x 10^-7^'
_refine_ls_extinction_method     'Stout & Jensen (1968)'
_refine_ls_goodness_of_fit_obs   1.593
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     848
_refine_ls_number_reflns         4814
_refine_ls_R_factor_obs          0.051
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.061
_reflns_number_observed          4814
_reflns_number_total             8090
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            pa1077.cif
_cod_data_source_block           pa1077_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F)' 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)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        5186.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009899