2,3,7,8-Tetrakis(2-pyridyl)pyrazino[2,3-<i>g</i>]quinoxaline
Fang, Ya-Yin; Guo, Ya-Mei; Du, Miao; Liu, He; Leng, Xue-Bing; Zhang, Ruo-Hua; Acta Crystallographica Section E 57 (2001) o380–o382; doi:10.1107/S1600536801005153

data_2200264
_publ_section_title
;
 2,3,7,8-Tetrakis(2-pyridyl)pyrazino[2,3-<i>g</i>]quinoxaline
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o380
_journal_page_last               o382
_journal_paper_doi               10.1107/S1600536801005153
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'C30 H18 N8'
_chemical_formula_moiety         'C30 H18 N8'
_chemical_formula_sum            'C30 H18 N8'
_chemical_formula_weight         490.52
_chemical_name_systematic
;
2,3,7,8-Tetrakis(2-pyridyl)pyrazino-[2,3-g]quinoxaline
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 114.398(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.061(5)
_cell_length_b                   6.2184(19)
_cell_length_c                   13.908(4)
_cell_measurement_reflns_used    4465
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      1.48
_cell_volume                     1186.2(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measurement_device       'Bruker SMART 1000'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0349
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4515
_diffrn_reflns_theta_max         25.02
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    .086
_exptl_absorpt_correction_T_max  .9871
_exptl_absorpt_correction_T_min  .9829
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             508
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .15
_refine_diff_density_max         .155
_refine_diff_density_min         -.147
_refine_ls_extinction_coef       .0092(15)
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   .935
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     173
_refine_ls_number_reflns         2046
_refine_ls_R_factor_gt           .0406
_refine_ls_shift/su_max          .008
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0466P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1036
_reflns_number_gt                1217
_reflns_number_total             2046
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6028.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1186.3(6)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2200264
_cod_database_fobs_code          2200264