Selective adsorptive separation of cyclohexane over benzene using thienothiophene cages
Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Maaliki, Carine; Jacquemin, Johan; Huang, Feihe; Khashab, Niveen M.; Chemical Science 12 (2021) 5315–5318; doi:10.1039/D1SC00440A

data_1560719
_publ_section_title
;
 Selective adsorptive separation of cyclohexane over benzene using
 thienothiophene cages
;
_journal_issue                   14
_journal_name_full               'Chemical Science'
_journal_page_first              5315
_journal_page_last               5318
_journal_paper_doi               10.1039/D1SC00440A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C45 H45 N8 S6'
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2021-01-24 deposited with the CCDC.	2021-02-25 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0236P)^2^+3.7133P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0693
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1sc00440a2.cif
_cod_data_source_block           ThT_cage2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1560718--1560720.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1560719
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_shelx_res_checksum              83665
_shelx_hkl_checksum              75839