9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-3,6-diphenyl-3,4,9,10-tetra-hydro-acridine-1,8(2H,5H)-dione.
Akkurt, Mehmet; Mohamed, Shaaban K.; Abdelhamid, Antar A.; Gaber, Abdel-Aal M; Albayati, Mustafa R.; Acta crystallographica. Section E, Structure reports online 70 (2014) o663–4; doi:10.1107/S1600536814010460

data_2311238
_publ_section_title
;
 9-(3-Bromo-5-chloro-2-hy-droxy-phen-yl)-10-(2-hy-droxy-eth-yl)-3,6-diphenyl-3,4,9,10-tetra-hydro-acridine-1,8(2H,5H)-dione.
;
_journal_coeditor_code           HG5395
_journal_issue                   'Pt 6'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              o663
_journal_page_last               4
_journal_paper_doi               10.1107/S1600536814010460
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C33 H27 Br Cl N O4'
_chemical_formula_moiety         'C33 H27 Br Cl N O4'
_chemical_formula_sum            'C33 H27 Br Cl N O4'
_chemical_formula_weight         616.91
_chemical_name_systematic
9-(3-Bromo-5-chloro-2-hydroxyphenyl)-10-(2-hydroxyethyl)-3,6-diphenyl-3,4,9,10-tetrahydroacridine-1,8(2<i>H</i>,5<i>H</i>)-dione
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 107.110(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.7307(3)
_cell_length_b                   15.4874(3)
_cell_length_c                   13.6541(3)
_cell_measurement_reflns_used    729
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45
_cell_measurement_theta_min      4
_cell_volume                     2977.18(11)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material
'WinGX (Farrugia, 2012) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            45181
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.532
_diffrn_reflns_theta_min         3.809
_exptl_absorpt_coefficient_mu    1.508
_exptl_absorpt_correction_T_max  0.79136
_exptl_absorpt_correction_T_min  0.63121
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_description       prism
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.599
_refine_diff_density_min         -0.403
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         9225
_refine_ls_number_restraints     107
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.1177
_refine_ls_R_factor_gt           0.0499
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0793P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1470
_reflns_number_gt                4420
_reflns_number_total             9225
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg5395sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311238
_shelx_hkl_checksum              31203
_shelx_res_checksum              23786
_shelxl_version_number           201.4