5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione dimethylformamide solvate
Hong Jiang; Xiang-Shan Wang; Mei-Mei Zhang; Chang-Sheng Yao; Shu-Jiang Tu; Acta Crystallographica Section E 62 (2006) o5587–o5589; doi:10.1107/S1600536806046952

data_2211614
_publ_section_title
;5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5<i>H</i>-indeno[1,2-<i>b</i>]quinoline-9,11(6<i>H</i>,10<i>H</i>)-dione
 dimethylformamide solvate
;
_journal_coeditor_code           SJ2146
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o5587
_journal_page_last               o5589
_journal_paper_doi               10.1107/S1600536806046952
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C31 H26 Cl N O2 , C3 H7 N O'
_chemical_formula_moiety         'C31 H26 Cl N O2 , C3 H7 N O'
_chemical_formula_sum            'C34 H33 Cl N2 O3'
_chemical_formula_weight         553.07
_chemical_melting_point          .536E-305
_chemical_name_systematic
;
5-(2-Chlorophenyl)-7,7-dimethyl-10-(4-methylphenyl)-7,8-dihydro-5H-
indeno[1,2-b]quinoline-9,11(6H,10H)-dione dimethylformamide solvate
;
_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                92.100(4)
_cell_angle_beta                 99.730(4)
_cell_angle_gamma                106.147(4)
_cell_formula_units_Z            2
_cell_length_a                   10.872(2)
_cell_length_b                   11.655(2)
_cell_length_c                   11.689(2)
_cell_measurement_reflns_used    5152
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     1396.8(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2003)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13755
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.176
_exptl_absorpt_correction_T_max  0.974
_exptl_absorpt_correction_T_min  0.688
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.394
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5071
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0722P)^2^+1.2467P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1494
_refine_ls_wR_factor_ref         0.1580
_reflns_number_gt                4222
_reflns_number_total             5071
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sj2146.cif
_cod_data_source_block           I
_cod_database_code               2211614
_cod_database_fobs_code          2211614