<i>anti</i>-9,10-Di(1-naphthyl)anthracene pyridine disolvate
Lee, Cho Hee; Kim, Mi Jong; Kim, Yeong-Joon; Je, Jong Tae; Lee, You-Soon; Kang, Sung Kwon; Acta Crystallographica Section E 65 (2009) o2842–; doi:10.1107/S1600536809042706

data_2223911
_publ_section_title
;
 <i>anti</i>-9,10-Di(1-naphthyl)anthracene pyridine disolvate
;
_journal_coeditor_code           LH2928
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2842
_journal_paper_doi               10.1107/S1600536809042706
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C34 H22, 2C5 H5 N'
_chemical_formula_moiety         'C34 H22, 2(C5 H5 N)'
_chemical_formula_sum            'C44 H32 N2'
_chemical_formula_weight         588.72
_chemical_name_systematic
;
<i>anti</i>-9,10-Di(1-naphthyl)anthracene pyridine disolvate
;
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 93.34(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.9810(18)
_cell_length_b                   24.166(5)
_cell_length_c                   7.2740(15)
_cell_measurement_reflns_used    5150
_cell_measurement_temperature    174(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.27
_cell_volume                     1576.0(6)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      174(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            16543
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             620
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.268
_refine_diff_density_min         -0.216
_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     208
_refine_ls_number_reflns         3897
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0481P)^2^+0.4153P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1155
_reflns_number_gt                3121
_reflns_number_total             3897
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2928.cif
_cod_data_source_block           I
_cod_database_code               2223911
_cod_database_fobs_code          2223911