1'-(4-Bromophenyl)-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1<i>H</i>,2''<i>H</i>)-dione
Saravanan, B.; Rajesh, R.; Raghunathan, R.; Chakkaravarthi, G.; Manivannan, V.; Acta Crystallographica Section E 66 (2010) o2801–; doi:10.1107/S1600536810040171

data_2227685
_publ_section_title
;
 1'-(4-Bromophenyl)-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-ylidene)methyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-3'-spiro-2''-naphthalene-2,1''(1<i>H</i>,2''<i>H</i>)-dione
;
_journal_coeditor_code           IS2611
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2801
_journal_paper_doi               10.1107/S1600536810040171
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C47 H34 Br N O3'
_chemical_formula_moiety         'C47 H34 Br N O3'
_chemical_formula_sum            'C47 H34 Br N O3'
_chemical_formula_weight         740.38
_chemical_name_systematic
;
1'-(4-Bromophenyl)-4'-{4-[(2-oxo-1,2,3,4-tetrahydronaphthalen-2-
ylidene)methyl]phenyl}-3'',4''-dihydroacenaphthylene-1-spiro-2'-pyrrolidine-
3'-spiro-2''-naphthalene-2,1''(1<i>H</i>,2''<i>H</i>)-dione
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.1430(10)
_cell_angle_beta                 92.744(2)
_cell_angle_gamma                100.9440(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4178(2)
_cell_length_b                   13.2352(3)
_cell_length_c                   15.9610(3)
_cell_measurement_reflns_used    8389
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.2
_cell_volume                     1723.17(7)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30711
_diffrn_reflns_theta_full        25.53
_diffrn_reflns_theta_max         25.53
_diffrn_reflns_theta_min         2.19
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.239
_exptl_absorpt_correction_T_max  0.7786
_exptl_absorpt_correction_T_min  0.7187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.317
_refine_diff_density_min         -0.530
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0374
_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^)+(0.0431P)^2^+0.5268P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0872
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                4539
_reflns_number_total             6410
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            is2611.cif
_cod_data_source_block           I
_cod_database_code               2227685
_cod_database_fobs_code          2227685