Photoinduced oxidative cyclopropanation of ene-ynamides: synthesis of 3-aza[<i>n</i>.1.0]bicycles <i>via</i> vinyl radicals.
Deng, Yongming; Zhang, Jason; Bankhead, Bradley; Markham, Jonathan P.; Zeller, Matthias; Chemical communications (Cambridge, England) 57 (2021) 5254–5257; doi:10.1039/d1cc02016a

data_7128279
_publ_section_title
;
 Photoinduced oxidative cyclopropanation of ene-ynamides: synthesis of
 3-aza[<i>n</i>.1.0]bicycles <i>via</i> vinyl radicals.
;
_journal_issue                   43
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              5254
_journal_page_last               5257
_journal_paper_doi               10.1039/d1cc02016a
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C18 H16 Cl N O3 S'
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_audit_update_record
;
2021-02-20 deposited with the CCDC.	2021-05-05 downloaded from the CCDC.
;
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;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev1149 (H\"ubschle et al., 2011)
;
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;
Bruker AXS D8 Quest diffractometer with PhotonIII_C14 charge-integrating and 
photon counting pixel array detector
;
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;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_mid          0.140
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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-2018/3 (Sheldrick 2018)'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0356P)^2^+1.1140P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0801
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3311
_reflns_number_total             3446
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc02016a2.cif
_cod_data_source_block           YMD_56B_0m
_cod_depositor_comments
'Adding full bibliography for 7128279--7128281.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7128279
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.618
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_shelx_res_checksum              20322