Three-component Minisci reaction involving trifluoromethyl radicals promoted by TBHP.
Zhang, Xiaole; Wang, Wengui; Wang, Shoufeng; Organic & biomolecular chemistry 23 (2025) 3830–3835; doi:10.1039/d5ob00240k

data_7160428
_publ_section_title
;
 Three-component Minisci reaction involving trifluoromethyl radicals
 promoted by TBHP.
;
_journal_issue                   16
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3830
_journal_page_last               3835
_journal_paper_doi               10.1039/d5ob00240k
_journal_volume                  23
_journal_year                    2025
_chemical_formula_sum            'C68 H80 Cl4 F12 N4 O4'
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_audit_update_record
;
2025-01-01 deposited with the CCDC.	2025-03-18 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  Broker
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_diffrn_reflns_point_group_measured_fraction_full 0.981
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_diffrn_reflns_theta_max         25.000
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_exptl_absorpt_coefficient_mu    0.249
_exptl_crystal_colour            Colorless
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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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^)+(0.1199P)^2^+0.0253P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             3019
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ob00240k2.cif
_cod_data_source_block           mo_24Nov30aDuanJGF_0m_a
_cod_depositor_comments          'Adding full bibliography for 7160428.cif.'
_cod_original_cell_volume        1752.6(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7160428
_shelx_shelxl_version_number     2014/7
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