2,5-Bis(2,4-diethylbenzoyl)terephthalic acid pyridine disolvate
Shui-Ping Deng; Guang-Liang Song; Shan Liu; Hong-Jun Zhu; Acta Crystallographica Section E 63 (2007) o268–o270; doi:10.1107/S1600536806052962

data_2211854
_publ_section_title
;
 2,5-Bis(2,4-diethylbenzoyl)terephthalic acid pyridine disolvate
;
_journal_coeditor_code           HK2169
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o268
_journal_page_last               o270
_journal_paper_doi               10.1107/S1600536806052962
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C30 H30 O6, 2C5 H5 N'
_chemical_formula_moiety         'C30 H30 O6, 2(C5 H5 N)'
_chemical_formula_sum            'C40 H40 N2 O6'
_chemical_formula_weight         644.74
_chemical_name_systematic
;
2,5-Bis(2,4-diethylbenzoyl)terephthalic acid pyridine disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_alpha                90.00
_cell_angle_beta                 91.15(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
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_cell_length_b                   10.071(2)
_cell_length_c                   18.285(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      9
_cell_volume                     1790.7(6)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1985)'
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_computing_publication_material  SHELXTL
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_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_max         25.96
_diffrn_reflns_theta_min         2.23
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 200
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_exptl_absorpt_coefficient_mu    0.080
_exptl_absorpt_correction_T_max  0.9870
_exptl_absorpt_correction_T_min  0.9596
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_method    'not measured'
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.01P)^2^+9P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2\s(I)
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_cod_data_source_block           I
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_cod_database_code               2211854
_cod_database_fobs_code          2211854