Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species
Churakov, Andrei V.; CrystEngComm 26 (2024) 5996–6002; doi:10.1039/D4CE00822G

data_7249411
_publ_section_title
;
 Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases
 of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen
 disorder of peroxide species
;
_journal_issue                   42
_journal_name_full               CrystEngComm
_journal_page_first              5996
_journal_page_last               6002
_journal_paper_doi               10.1039/D4CE00822G
_journal_volume                  26
_journal_year                    2024
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_audit_update_record
;
2023-07-04 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
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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^)+(0.0405P)^2^+1.4921P] 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            d4ce00822g3.cif
_cod_data_source_block           a2
_cod_depositor_comments
'Adding full bibliography for 7249410--7249412.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7249411
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              46312
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