Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media
Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.; Chem. Sci. 7 (2016) 4563–; doi:10.1039/C6SC01011C

data_1543097
_publ_section_title
;
 Macrocyclic squaramides: anion receptors with high sulfate binding
 affinity and selectivity in aqueous media
;
_journal_issue                   7
_journal_name_full               'Chem. Sci.'
_journal_page_first              4563
_journal_paper_doi               10.1039/C6SC01011C
_journal_volume                  7
_journal_year                    2016
_chemical_formula_sum            'C56 H96 N6 O10 S'
_chemical_formula_weight         1045.44
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_symmetry_space_group_name_Hall  '-P 2ybc'
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2016-03-03 deposited with the CCDC.
2016-04-01 downloaded from the CCDC.
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  ORTEP3 for Windows (Farrugia, L., 1997)
  ORTEPIII  (Burnett, N.M., Johnson,C.K., 1996). 
  WinGX (Farrugia, 1999)
  shelXle (H\"i?1/2bschle,C.B., et al., 2011) 
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;
attached with Exxon Paratone N to a nylon loop and quenched 
in a cold nitrogen gas stream from an Oxford Cryosystems Cryostream. 
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;
 SADABS (Sheldrick, 1996)
;
_exptl_crystal_colour            colourless
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.035P)^2^+4.0P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           1+sulfate_kaj14mm_s1366
_cod_depositor_comments
'Adding full bibliography for 1543095--1543098.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1543097
_shelx_shelxl_version_number     2014/7
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