Phosphazene Superbase-Mediated Regio- and Stereoselective Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of Isoindolin-1-ones.
Mehta, Saurabh; Brahmchari, Dhirendra; The Journal of organic chemistry 84 (2019) 5492–5503; doi:10.1021/acs.joc.9b00452

data_4034372
_publ_section_title
;
 Phosphazene Superbase-Mediated Regio- and Stereoselective
 Iodoaminocyclization of 2-(1-Alkynyl)benzamides for the Synthesis of
 Isoindolin-1-ones.
;
_journal_issue                   9
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              5492
_journal_page_last               5503
_journal_paper_doi               10.1021/acs.joc.9b00452
_journal_volume                  84
_journal_year                    2019
_chemical_formula_moiety         'C15 H9 N O'
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'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
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_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
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_refine_diff_density_min         -0.154
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_refine_ls_extinction_coef       0.0070(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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_refine_ls_number_parameters     159
_refine_ls_number_reflns         1872
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1052
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0429P)^2^+0.0681P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1054
_refine_ls_wR_factor_ref         0.1377
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1104
_reflns_number_total             1872
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo9b00452_si_003.cif
_cod_data_source_block           292
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4034372
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.979
_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              10628
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