Powder diffraction study of 1,2:3,4-dibenzanthracene
Fernandes, Philippe; Florence, Alastair; Shankland, Kenneth; David, Bill; Acta Crystallographica Section E 61 (2005) o1483–o1485; doi:10.1107/S1600536805012171

data_2205760
_publ_section_title
;
 Powder diffraction study of 1,2:3,4-dibenzanthracene
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1483
_journal_page_last               o1485
_journal_paper_doi               10.1107/S1600536805012171
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C22 H14'
_chemical_formula_moiety         'C22 H14'
_chemical_formula_sum            'C22 H14'
_chemical_formula_weight         278.33
_chemical_melting_point          500
_chemical_name_common            Dibenz[a,c]anthracene
_chemical_name_systematic        1,2:5,6-Dibenzanthracene
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.5574(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.2966(5)
_cell_length_b                   5.06225(10)
_cell_length_c                   15.7245(4)
_cell_measurement_temperature    295
_cell_volume                     1409.68(6)
_computing_cell_refinement       'Please provide missing details'
_computing_data_collection       'D8-Advance Control Software'
_computing_data_reduction        'DASH (David <i>et al.</i>, 2001)'
_computing_molecular_graphics    'Please provide missing details'
_computing_publication_material  'Please provide missing details'
_computing_structure_refinement  'TOPAS (Coelho, 2003)'
_computing_structure_solution    DASH
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'Bruker D8 Advance'
_diffrn_radiation_monochromator  'primary focussing, Ge 111'
_diffrn_radiation_type           'Cu K\a1'
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            739
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             584
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.64
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           sparse
_refine_ls_number_constraints    1
_refine_ls_number_parameters     241
_refine_ls_number_restraints     214
_refine_ls_shift/su_max          0.011
_refine_ls_weighting_details     1/\s(Y~obs~)^2^
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            lh6405.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2205760