An anion receptor that facilitates transmembrane proton-anion symport by deprotonating its sulfonamide N-H proton.
Shinde, Sopan Valiba; Talukdar, Pinaki; Chemical communications (Cambridge, England) 54 (2018) 10351–10354; doi:10.1039/c8cc04044c

data_7122127
_publ_section_title
;
 An anion receptor that facilitates transmembrane proton-anion symport by
 deprotonating its sulfonamide N-H proton.
;
_journal_issue                   73
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10351
_journal_page_last               10354
_journal_paper_doi               10.1039/c8cc04044c
_journal_volume                  54
_journal_year                    2018
_chemical_formula_sum            'C38 H52 Cl F3 N4 O4.5 S'
_chemical_formula_weight         761.34
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-04-06 deposited with the CCDC.
2018-08-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.996
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_diffrn_reflns_limit_h_min       -24
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_diffrn_reflns_number            38339
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.086
_diffrn_reflns_theta_max         25.086
_diffrn_reflns_theta_min         1.371
_exptl_absorpt_coefficient_mu    0.207
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.270
_exptl_crystal_description       Block
_exptl_crystal_F_000             3232
_refine_diff_density_max         0.947
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_refine_ls_extinction_method     none
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_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^)+(0.1503P)^2^+28.5096P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4668
_reflns_number_total             7067
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc04044c2.cif
_cod_data_source_block           TRIAL1_a
_cod_depositor_comments
'Adding full bibliography for 7122125--7122127.cif.'
_cod_original_cell_volume        7963(2)
_cod_original_formula_sum        'C38 H52 Cl F3 N4 O4.50 S'
_cod_database_code               7122127
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              71824
_shelx_hkl_checksum              95067