Effect of counter ions on the mesogenic ionic N-phenylpyridiniums
Wang, Ren-Tzong; Lee, Gene-Hsiang; Lai, Chung K.; CrystEngComm 20 (2018) 2593–; doi:10.1039/C8CE00286J

data_7230421
_publ_section_title
;
 Effect of counter ions on the mesogenic ionic N-phenylpyridiniums
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              2593
_journal_paper_doi               10.1039/C8CE00286J
_journal_volume                  20
_journal_year                    2018
_chemical_formula_sum            'C25 H41 N O4 S'
_chemical_formula_weight         451.65
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-01-04 deposited with the CCDC.
2018-04-06 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0148
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_exptl_absorpt_correction_T_max  0.7533
_exptl_absorpt_correction_T_min  0.6507
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
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_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+1.3646P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                4612
_reflns_number_total             4854
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           ic18248
_cod_depositor_comments
'Adding full bibliography for 7230421--7230423.cif.'
_cod_database_code               7230421
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.681
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