Ion pair-induced conformational motion in calix[4]arene-strapped calix[4]pyrroles
Kim, Sung Kuk; Lynch, Vincent M.; Hay, Benjamin P.; Kim, Jong Seung; Sessler, Jonathan L.; Chem. Sci. 6 (2015) 1404–; doi:10.1039/C4SC03272A

data_1518368
_publ_section_title
;
 Ion pair-induced conformational motion in calix[4]arene-strapped
 calix[4]pyrroles
;
_journal_issue                   2
_journal_name_full               'Chem. Sci.'
_journal_page_first              1404
_journal_paper_doi               10.1039/C4SC03272A
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety
'2 C72 H72 N4 O6, 2 C8 H20 N 1+, 2 F 1-, 3 C H2 Cl2, 3 H2 O'
_chemical_formula_sum            'C163 H193 Cl6 F2 N10 O15'
_chemical_formula_weight         2782.96
_chemical_name_systematic        ksk1928
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_space_group_name_Hall           '-P 1'
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2014-09-21 deposited with the CCDC.
2014-12-02 downloaded from the CCDC.
;
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1884P)^2^+4.1202P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2854
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_reflns_number_gt                23641
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 1518360--1518368.cif.'
_cod_database_code               1518368
_shelx_estimated_absorpt_t_min   0.707
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