Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes towards fused nitrogen heterocycles initiated by an alkoxycarbonyl radical.
Qiao, Shanshan; Qian, Peng-Cheng; Chen, Fan; Cheng, Jiang; Organic & biomolecular chemistry 18 (2020) 7086–7089; doi:10.1039/d0ob01438a

data_7157704
_publ_section_title
;
 Iron-catalyzed radical cascade 6-<i>endo</i> cyclization of dienes
 towards fused nitrogen heterocycles initiated by an alkoxycarbonyl
 radical.
;
_journal_issue                   36
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7086
_journal_page_last               7089
_journal_paper_doi               10.1039/d0ob01438a
_journal_volume                  18
_journal_year                    2020
_chemical_formula_sum            'C21 H21 N O3'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-06-21 deposited with the CCDC.	2020-08-12 downloaded from the CCDC.
;
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_cell_volume                     1699.73(13)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_absorpt_coefficient_mu    0.087
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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^)+(0.0552P)^2^+0.5725P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
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_reflns_number_gt                2382
_reflns_number_total             2976
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob01438a2.cif
_cod_data_source_block           20191119LI_CZDX_QSS_0m_a
_cod_depositor_comments          'Adding full bibliography for 7157704.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7157704
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.990
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_shelx_res_checksum              64862
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