Simple squaramide receptors for highly efficient anion binding in aqueous media and transmembrane transport.
Picci, Giacomo; Kubicki, Maciej; Garau, Alessandra; Lippolis, Vito; Mocci, Rita; Porcheddu, Andrea; Quesada, Roberto; Ricci, Pier Carlo; Scorciapino, M. Andrea; Caltagirone, Claudia; Chemical communications (Cambridge, England) 56 (2020) 11066–11069; doi:10.1039/d0cc04090h

data_7127056
_publ_section_title
;
 Simple squaramide receptors for highly efficient anion binding in aqueous
 media and transmembrane transport.
;
_journal_issue                   75
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              11066
_journal_page_last               11069
_journal_paper_doi               10.1039/d0cc04090h
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C22 H14 N4 O2, H2 O'
_chemical_formula_sum            'C22 H16 N4 O3'
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;
2019-07-30 deposited with the CCDC.	2020-08-10 downloaded from the CCDC.
;
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_diffrn_source                   'micro-focus sealed X-ray tube'
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;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0525P)^2^+0.5520P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0982
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_reflns_number_gt                3371
_reflns_number_total             3586
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc04090h2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7127055--7127057.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7127056
_shelxl_version_number           2013-4
_shelx_res_checksum              60501