TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.
Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei; The Journal of organic chemistry 82 (2017) 12682–12690; doi:10.1021/acs.joc.7b02491

data_4033024
_publ_section_title
;
 TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization,
 Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of
 Pyrrolin-4-ones and Highly Substituted Pyrroles.
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_journal_issue                   23
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              12682
_journal_page_last               12690
_journal_paper_doi               10.1021/acs.joc.7b02491
_journal_volume                  82
_journal_year                    2017
_chemical_formula_sum            'C20 H17 N O5'
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_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
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_diffrn_ambient_temperature      113(2)
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_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.098
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_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Prism
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+3.0055P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_data_source_file            jo7b02491_si_002.cif
_cod_data_source_block           m20170112c1
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 

 Adding full bibliography for 4033024.cif.
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_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               4033024