2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione
Hajime Irikawa; Kinya Iijima; Acta Crystallographica Section C 54 (1998) 1318–1320; doi:10.1107/S0108270198003333

data_2007658
_publ_section_title
;
 2,6-Dimethyl-3,7-diphenyl-2,6-naphthyridine-1,5(2<i>H</i>,6<i>H</i>)-dione
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1318
_journal_page_last               1320
_journal_paper_doi               10.1107/S0108270198003333
_journal_volume                  54
_journal_year                    1998
_chemical_formula_moiety         'C22 H18 O2 N2'
_chemical_formula_sum            'C22 H18 N2 O2'
_chemical_formula_weight         342.4
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           'International Tables (1974)'
_cell_angle_alpha                90.00000
_cell_angle_beta                 93.94(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   23.138(5)
_cell_length_b                   11.220(2)
_cell_length_c                   6.8820(10)
_cell_measurement_reflns_used    21
_cell_measurement_temperature    298
_cell_measurement_theta_max      12.3
_cell_measurement_theta_min      4.5
_cell_volume                     1782.4(6)
_computing_cell_refinement       'MXC diffractometer system (MAC Science, 1989)'
_computing_data_collection       'MXC diffractometer system (MAC Science, 1989)'
_computing_data_reduction        'Crystan (Gilmore & Brown, 1988)'
_computing_molecular_graphics    'ORTEP (Johnson, 1965) in Crystan'
_computing_publication_material  Crystan
_computing_structure_refinement  Crystan
_computing_structure_solution    Crystan
_diffrn_measurement_device       'MAC Science MXC3'
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           'Mo K~\a~'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4646
_diffrn_reflns_theta_max         26.43
_diffrn_standards_decay_%        ' < 1 '
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_meas      1.26
_exptl_crystal_density_method    ' floatation in KI aqueous solution'
_exptl_crystal_description       needle
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     235
_refine_ls_number_reflns         2515
_refine_ls_R_factor_gt           0.0669
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0694
_reflns_number_gt                1598
_reflns_number_total             4081
_reflns_threshold_expression     ' I > 2.0 \s(I)'
_cod_data_source_file            oa1045.cif
_cod_data_source_block           oa1045
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C22 H18 O2 N2'
_cod_database_code               2007658
_cod_database_fobs_code          2007658