Dioxygenation of unprotected mesoionic N‑heterocyclic olefins
Liang, Qiuming; Hayashi, Kasumi; li, Longfei longfei; Song, Datong; Chemical Communications  (2021) –; doi:10.1039/D1CC04695K

data_7128983
_publ_section_title
;
 Dioxygenation of unprotected mesoionic N&#x2011;heterocyclic olefins
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC04695K
_journal_year                    2021
_chemical_formula_sum            'C23 H21 N3 O'
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_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2021-08-19 deposited with the CCDC.	2021-09-22 downloaded from the CCDC.
;
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_diffrn_reflns_Laue_measured_fraction_full 0.995
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_diffrn_reflns_limit_l_min       -23
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_diffrn_reflns_theta_min         2.659
_exptl_absorpt_coefficient_mu    0.077
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_exptl_absorpt_correction_T_min  0.7033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
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_exptl_crystal_size_max          0.5
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_exptl_crystal_size_min          0.3
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0613
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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^)+(0.0518P)^2^+2.5080P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             4414
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_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7128983
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              38756