3-Bromo-1-(2,4-dichlorophenyl)-2-methoxy-3-(4-methoxyphenyl)propan-1-one–2-bromo-3-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-3-methoxypropan-1-one (0.91/0.09)
Butcher, Ray J.; Jasinski, Jerry P.; Narayana, B.; Mayekar, Anil N.; Yathirajan, H. S.; Acta Crystallographica Section E 63 (2007) o4123–o4124; doi:10.1107/S1600536807045977

data_2215423
_publ_section_title
;3-Bromo-1-(2,4-dichlorophenyl)-2-methoxy-3-(4-methoxyphenyl)propan-1-one--2-bromo-3-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-3-methoxypropan-1-one
 (0.91/0.09)
;
_journal_coeditor_code           CI2459
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4123
_journal_page_last               o4124
_journal_paper_doi               10.1107/S1600536807045977
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '0.91C17 H15 Br Cl2 O3, 0.09C17 H15 Br Cl2 O3'
_chemical_formula_moiety
'0.91(C17 H15 Br Cl2 O3), 0.09(C17 H15 Br Cl2 O3)'
_chemical_formula_sum            'C17 H15 Br Cl2 O3'
_chemical_formula_weight         418.09
_chemical_name_systematic
;
3-Bromo-1-(2,4-dichlorophenyl)-2-methoxy-3-(4-methoxyphenyl)propan-1-one--\
2-bromo-3-(3-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)-3-methoxypropan-1-one
(0.91/0.09)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                113.88(2)
_cell_angle_beta                 98.649(16)
_cell_angle_gamma                95.991(14)
_cell_formula_units_Z            2
_cell_length_a                   7.8013(12)
_cell_length_b                   11.190(2)
_cell_length_c                   11.438(3)
_cell_measurement_reflns_used    3589
_cell_measurement_temperature    296
_cell_measurement_theta_max      32.3852
_cell_measurement_theta_min      4.7202
_cell_volume                     887.4(4)
_computing_cell_refinement       '<i>CrysAlisPro</i> (Oxford Diffraction, 2007)'
_computing_data_collection       '<i>CrysAlisPro</i> (Oxford Diffraction, 2007)'
_computing_data_reduction        '<i>CrysAlisPro</i> (Oxford Diffraction, 2007)'
_computing_molecular_graphics    '<i>WinGX</i> (Farrugia, 1999)'
_computing_publication_material  '<i>WinGX</i> (Farrugia, 1999)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 1997)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 1997)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.799
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0960
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10321
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.52
_diffrn_reflns_theta_min         4.74
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.627
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2007)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             420
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.43
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.727
_refine_diff_density_min         -0.410
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     220
_refine_ls_number_reflns         5156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1263
_refine_ls_R_factor_gt           0.0476
_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^)+(0.0715P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1556
_reflns_number_gt                2377
_reflns_number_total             5156
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2459.cif
_cod_data_source_block           I
_cod_database_code               2215423
_cod_database_fobs_code          2215423