Visible light sensitization of benzoyl azides: cascade cyclization toward oxindoles via a non-nitrene pathway
Bagal, Dattatraya B. B; Park, Sung-Woo; Song, Hyun-Ji; Chang, Sukbok; Chem. Commun.  (2017) –; doi:10.1039/C7CC04852A

data_7120456
_publ_section_title
;
 Visible light sensitization of benzoyl azides: cascade cyclization toward
 oxindoles via a non-nitrene pathway
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC04852A
_journal_year                    2017
_chemical_formula_sum            'C20 H19 Br N2 O2'
_chemical_formula_weight         399.28
_chemical_name_systematic        'DB- 0276'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2016-09-21 deposited with the CCDC.
2017-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_volume                     1772.05(14)
_computing_cell_refinement       'Bruker SMART APEXll'
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_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
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_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      120(2)
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_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -34
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_exptl_absorpt_correction_T_max  0.7456
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_exptl_crystal_colour            colourless
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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^)+(0.0680P)^2^+1.9333P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1503
_refine_ls_wR_factor_ref         0.1710
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6026
_reflns_number_total             9950
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cc04852a2.cif
_cod_data_source_block           p21c_a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7120456
_shelx_estimated_absorpt_t_min   0.531
_shelx_estimated_absorpt_t_max   0.640
_shelxl_version_number           2013-4
_shelx_res_checksum              59756
_shelx_hkl_checksum              71764