4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde
Murugesan, R.; Selladurai, S.; Subramaniam, K.; Velmurugan, D.; Hamilton, J. R.; Chen, Y.-S.; Schapiro, P. J.; Rao, S. N.; Acta Crystallographica Section C 52 (1996) 2318–2320; doi:10.1107/S0108270196003204

data_2005422
_publ_section_title
;
 4-(4-Chlorophenyl)-2,6-diphenyl-(4<i>H</i>)-pyran-3,5-dicarbaldehyde
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2318
_journal_page_last               2320
_journal_paper_doi               10.1107/S0108270196003204
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C25 H17 Cl O3'
_chemical_formula_weight         400.87
_space_group_IT_number           14
_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           'Cromer & Waber (1974)'
_cell_angle_alpha                90
_cell_angle_beta                 99.93(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.917(4)
_cell_length_b                   7.933(5)
_cell_length_c                   23.137(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1973.8(15)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'modified SDP (Frenz, 1988)'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4822
_diffrn_reflns_theta_max         34
_diffrn_standards_decay_%        <5
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.191
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.35
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.265
_refine_ls_hydrogen_treatment    'Only H-atom U's refined'
_refine_ls_number_parameters     313
_refine_ls_number_reflns         2405
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.161
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;                    1/[\s^2^(F~o~^2^)+(0.1022P)^2^+2.76P]
where P = [max(F~o~^2^+2F~o~^2^)]/3
;
_refine_ls_wR_factor_obs         0.065
_reflns_number_observed          2405
_reflns_number_total             4053
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pt1027.cif
_cod_data_source_block           pt1027a
_cod_original_cell_volume        1973.63(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005422