A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.
Ustrnul, Lukas; Babiak, Michal; Kulhanek, Petr; Sindelar, Vladimir; The Journal of organic chemistry 81 (2016) 6075–6080; doi:10.1021/acs.joc.6b01288

data_4037023
_publ_section_title
;
 A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly.
;
_journal_issue                   14
_journal_name_full               'The Journal of organic chemistry'
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_journal_page_last               6080
_journal_paper_doi               10.1021/acs.joc.6b01288
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_journal_year                    2016
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by MiB
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_source                   'Rotating Anode MicroMax-007HF DW 1.2 kW'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.250
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.1030P)^2^+17.4779P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                20326
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'P 21/n'
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