Isoindolinone Synthesis: Selective Dioxane-Mediated Aerobic Oxidation of Isoindolines.
Thapa, Pawan; Corral, Esai; Sardar, Sinjinee; Pierce, Brad S.; Foss, Jr, Frank W; The Journal of organic chemistry 84 (2019) 1025–1034; doi:10.1021/acs.joc.8b01920

data_4036018
_publ_section_title
;
 Isoindolinone Synthesis: Selective Dioxane-Mediated Aerobic Oxidation of
 Isoindolines.
;
_journal_issue                   2
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              1025
_journal_page_last               1034
_journal_paper_doi               10.1021/acs.joc.8b01920
_journal_volume                  84
_journal_year                    2019
_chemical_formula_sum            'C14 H10 N2 O3'
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_space_group_name_H-M_alt        'P -1'
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_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.91
_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
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_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_theta_min         1.95
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_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
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_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.0080
_refine_ls_shift/su_mean         0.0012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
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_reflns_number_gt                3123
_reflns_number_total             7594
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            jo8b01920_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_database_code               4036018