Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures
Krzysztof M. Bak; Michal J. Chmielewski; Chem.Commun. 50 (2014) 1305–; doi:10.1039/c3cc48463g

data_7111823
_publ_section_title
;
 Sulfate templated assembly of neutral receptors in aqueous DMSO --
 orthogonal versus biplane structures
;
_journal_name_full               Chem.Commun.
_journal_page_first              1305
_journal_paper_doi               10.1039/c3cc48463g
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         '2(C24 H29 Cl2 N3 O2), 2(C16 H36 N), O4 S'
_chemical_formula_sum            'C80 H130 Cl4 N8 O8 S'
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 ? 
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_computing_cell_refinement
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_collection
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_data_reduction
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
;
_computing_molecular_graphics    'ortep, Wingx, Mercury, Olex2'
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.15 (release 03-08-2011 CrysAlis171 .NET)
(compiled Aug  3 2011,13:03:54)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+5.8033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc48463g.txt
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