Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion selectivity.
Roy, Arundhati; Biswas, Oindrila; Talukdar, Pinaki; Chemical communications (Cambridge, England) 53 (2017) 3122–3125; doi:10.1039/c7cc00165g

data_7119692
_publ_section_title
;
 Bis(sulfonamide) transmembrane carriers allow pH-gated inversion of ion
 selectivity.
;
_journal_issue                   21
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3122
_journal_page_last               3125
_journal_paper_doi               10.1039/c7cc00165g
_journal_volume                  53
_journal_year                    2017
_chemical_formula_moiety         'C20 H14 F6 N2 O4 S2'
_chemical_formula_sum            'C20 H14 F6 N2 O4 S2'
_chemical_formula_weight         524.45
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-06 deposited with the CCDC.
2017-02-17 downloaded from the CCDC.
;
_cell_angle_alpha                78.06(2)
_cell_angle_beta                 85.26(2)
_cell_angle_gamma                88.54(2)
_cell_formula_units_Z            4
_cell_length_a                   6.780(5)
_cell_length_b                   13.746(11)
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_cell_measurement_reflns_used    2480
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.80
_cell_measurement_theta_min      2.86
_cell_volume                     2067(3)
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_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.4262
_diffrn_reflns_av_unetI/netI     0.3895
_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            63538
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_min         2.126
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_exptl_absorpt_correction_T_min  0.933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'multi-scan absorption correction'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Needle shaped'
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         10268
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_refine_ls_R_factor_gt           0.0912
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1769
_refine_ls_wR_factor_ref         0.2573
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4056
_reflns_number_total             10268
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc00165g2.cif
_cod_data_source_block           Compound1e
_cod_depositor_comments
'Adding full bibliography for 7119691--7119692.cif.'
_cod_database_code               7119692
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              52632
_shelx_hkl_checksum              29221