Ordered co-encapsulation of chloride with polar neutral guests in a tetraurea calix[4]pyrrole dimeric capsule
Galán, Albano; Valderrey, Virginia; Ballester, Pablo; Chem. Sci. 6 (2015) 6325–; doi:10.1039/C5SC02024G

data_1529210
_publ_section_title
;
 Ordered co-encapsulation of chloride with polar neutral guests in a
 tetraurea calix[4]pyrrole dimeric capsule
;
_journal_issue                   11
_journal_name_full               'Chem. Sci.'
_journal_page_first              6325
_journal_paper_doi               10.1039/C5SC02024G
_journal_volume                  6
_journal_year                    2015
_chemical_formula_sum            'C114 H143 Cl N14 O5'
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;
 ?
;
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_space_group_name_Hall           '-P 2yn'
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;
2015-06-05 deposited with the CCDC.
2015-07-09 downloaded from the CCDC.
;
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;
 Fullsphere data collection, phi and omega scans
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; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc02024g2.cif
_cod_data_source_block           mo_AGSC29_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 

 Adding full bibliography for 1529210.cif.
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1529210
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