2,2'-Dibromo-3,3',4,4',5,5',6,6'-octamethyl-1,1'-biphenyl
Hemamala Karunadasa; Christina Leggett; Shaun Wong; Acta Crystallographica Section E 60 (2004) o1499–o1500; doi:10.1107/S160053680401709X

data_2204131
_publ_section_title
;
 2,2'-Dibromo-3,3',4,4',5,5',6,6'-octamethyl-1,1'-biphenyl
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1499
_journal_page_last               o1500
_journal_paper_doi               10.1107/S160053680401709X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          'C20 H24 Br2'
_chemical_formula_moiety         'C20 H24 Br2'
_chemical_formula_sum            'C20 H24 Br2'
_chemical_formula_weight         424.22
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.530(4)
_cell_length_b                   10.987(4)
_cell_length_c                   11.916(3)
_cell_measurement_reflns_used    2260
_cell_measurement_temperature    174.2
_cell_measurement_theta_max      24.0
_cell_measurement_theta_min      2.4
_cell_volume                     1771.4(9)
_computing_cell_refinement       'SAINT (Bruker, 2003'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    TEXSAN
_computing_publication_material  TEXSAN
_computing_structure_refinement
'teXsan (Molecular Structure Corporation & Rigaku, 1998)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_measured_fraction_theta_full 0.9834
_diffrn_measured_fraction_theta_max 0.9834
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7776
_diffrn_reflns_theta_full        24.69
_diffrn_reflns_theta_max         24.69
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.585
_exptl_absorpt_correction_T_max  0.554
_exptl_absorpt_correction_T_min  0.280
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.591
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856.00
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.214
_exptl_crystal_size_min          0.129
_refine_diff_density_max         0.28
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.850
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     101
_refine_ls_number_reflns         1061
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                1061
_reflns_number_total             1483
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            cf6350.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2n 2ab '
_cod_database_code               2204131
_cod_database_fobs_code          2204131