<i>N</i>,<i>N</i>'-Bis[2-(4-pyridyl)ethyl]naphthalene-1,8:4,5-bis(dicarboximide)
Tsukada, Yuichiro; Hirao, Keita; Mizuguchi, Jin; Acta Crystallographica Section E 63 (2007) o3872–o3872; doi:10.1107/S1600536807040767

data_2215193
_publ_section_title
<i>N</i>,<i>N</i>'-Bis[2-(4-pyridyl)ethyl]naphthalene-1,8:4,5-bis(dicarboximide)
_journal_coeditor_code           KP2131
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3872
_journal_page_last               o3872
_journal_paper_doi               10.1107/S1600536807040767
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C28 H20 N4 O4'
_chemical_formula_moiety         'C28 H20 N4 O4'
_chemical_formula_sum            'C28 H20 N4 O4'
_chemical_formula_weight         476.48
_chemical_name_systematic
;
N,N'-Bis[2-(4-pyridyl)ethyl]naphthalene-1,8:4,5-bis(dicarboximide)
;
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.811(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   10.0900(16)
_cell_length_b                   8.8239(15)
_cell_length_c                   12.846(2)
_cell_measurement_reflns_used    8499
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      68.2
_cell_measurement_theta_min      3.6
_cell_volume                     1100.4(3)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  'CrystalStructure (Rigaku/MSC, 2006)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>,  2003)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9001
_diffrn_reflns_theta_full        68.22
_diffrn_reflns_theta_max         68.22
_exptl_absorpt_coefficient_mu    0.807
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             496.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.936
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     164
_refine_ls_number_reflns         1909
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1P)^2^+0.2956P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1225
_reflns_number_gt                1751
_reflns_number_total             1909
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            kp2131.cif
_cod_data_source_block           I
_cod_original_cell_volume        1100.5(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2215193
_cod_database_fobs_code          2215193