A phenyl-end-capped tetramer of aniline
Evain, Michel; Quillard, Sophie; Corraze, Benoit; Wang, Wei; MacDiarmid, Alan G.; Acta Crystallographica Section E 58 (2002) o343–o344; doi:10.1107/S1600536802002532

data_2200908
_publ_section_title
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 A phenyl-end-capped tetramer of aniline
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_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o343
_journal_page_last               o344
_journal_paper_doi               10.1107/S1600536802002532
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'C30 H26 N4'
_chemical_formula_moiety         'C30 H26 N4'
_chemical_formula_sum            'C30 H26 N4'
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_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.7481(8)
_cell_angle_beta                 84.5281(8)
_cell_angle_gamma                88.4739(11)
_cell_formula_units_Z            2
_cell_length_a                   5.73280(10)
_cell_length_b                   8.8866(2)
_cell_length_c                   22.6889(6)
_cell_measurement_reflns_used    23907
_cell_measurement_temperature    300
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      4.08
_cell_volume                     1141.29(4)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT  (Hooft, 1998)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  JANA2000
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_refine_ls_shift/su_mean         .0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(I) + 0.001024I^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          .1051
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_reflns_threshold_expression     I>2\s(I)
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_cod_depositor_comments
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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 
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_cod_database_code               2200908