Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic counteranions determine aggregated structures
Wu, Guanglu; Thomas, Joice; Smet, Mario; Wang, Zhiqiang; Zhang, Xi; Chemical Science 5 (2014) 3267–; doi:10.1039/c4sc00860j

data_1515402
_publ_section_title
;
 Controlling the self-assembly of cationic bolaamphiphiles: hydrotropic
 counteranions determine aggregated structures
;
_journal_issue                   8
_journal_name_full               'Chemical Science'
_journal_page_first              3267
_journal_paper_doi               10.1039/c4sc00860j
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C38 H44 N4 O2 S2, 2(C7 H7 O3 S)'
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_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
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_diffrn_reflns_theta_min         2.19
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_refine_ls_R_factor_all          0.1244
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0010P)^2^+4.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1939
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_reflns_number_gt                5461
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_cod_data_source_file            c4sc00860j2.cif
_cod_data_source_block           bo2583
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 1515402.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1515402