Visual discrimination of aromatic acid substitution patterns by supramolecular nanocooperativity.
Kravets, Mykola; Sobczak, Grzegorz; Rad, Nazar; Misztalewska-Turkowicz, Iwona; Danylyuk, Oksana; Sashuk, Volodymyr; Chemical communications (Cambridge, England) 56 (2020) 8595–8598; doi:10.1039/d0cc03633a

data_7126715
_publ_section_title
;
 Visual discrimination of aromatic acid substitution patterns by
 supramolecular nanocooperativity.
;
_journal_issue                   61
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              8595
_journal_page_last               8598
_journal_paper_doi               10.1039/d0cc03633a
_journal_volume                  56
_journal_year                    2020
_chemical_formula_moiety         'C24 H24 N4, 2(C8 H4 O4), 17(H2 O)'
_chemical_formula_sum            'C40 H66 N4 O25'
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2020-04-08 deposited with the CCDC.	2020-06-11 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_number_reflns         8835
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0600P)^2^+1.7875P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1179
_refine_ls_wR_factor_ref         0.1201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8246
_reflns_number_total             8835
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc03633a2.cif
_cod_data_source_block           p4p_para_new
_cod_depositor_comments          'Adding full bibliography for 7126715.cif.'
_cod_database_code               7126715
_shelx_estimated_absorpt_t_min   0.609
_shelx_estimated_absorpt_t_max   0.720
_shelxl_version_number           2013-3
_shelx_res_checksum              6072