10-(4-Chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione
Yan Chen; Wen-Juan Hao; Zi-Qiang Tang; Bo Jiang; Chun-Mei Li; Acta Crystallographica Section E 63 (2007) o3934–o3934; doi:10.1107/S1600536807042365

data_2215417
_publ_section_title
10-(4-Chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>,9<i>H</i>,10<i>H</i>)-dione
_journal_coeditor_code           CI2452
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3934
_journal_page_last               o3934
_journal_paper_doi               10.1107/S1600536807042365
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C30 H32 Cl N O3'
_chemical_formula_moiety         'C30 H32 Cl N O3'
_chemical_formula_sum            'C30 H32 Cl N O3'
_chemical_formula_weight         490.02
_chemical_melting_point          .542E-305
_chemical_name_systematic
;
10-(4-Chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-
tetrahydroacridine-1,8(2H,5H,9H,10H)-dione
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 100.788(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.227(2)
_cell_length_b                   10.883(2)
_cell_length_c                   20.178(3)
_cell_measurement_reflns_used    2397
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.361
_cell_measurement_theta_min      2.409
_cell_volume                     2637.6(8)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXTL (Bruker, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0724
_diffrn_reflns_av_sigmaI/netI    0.0904
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10435
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.176
_exptl_absorpt_correction_T_max  0.9623
_exptl_absorpt_correction_T_min  0.9330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1040
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.190
_refine_diff_density_min         -0.366
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         4516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.1334
_refine_ls_R_factor_gt           0.0565
_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^)+(0.0416P)^2^+1.2116P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1462
_reflns_number_gt                2146
_reflns_number_total             4516
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2452.cif
_cod_data_source_block           I
_cod_original_cell_volume        2637.8(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215417
_cod_database_fobs_code          2215417