Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of Oxazolones and Polyfunctionalized Oxazolidinones.
Rey-Rodriguez, Romain; Grelier, Gwendal; Habert, Loïc; Retailleau, Pascal; Darses, Benjamin; Gillaizeau, Isabelle; Dauban, Philippe; The Journal of organic chemistry 82 (2017) 11897–11902; doi:10.1021/acs.joc.7b01623

data_4033318
_publ_section_title
;
 Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of
 Oxazolones and Polyfunctionalized Oxazolidinones.
;
_journal_issue                   22
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11897
_journal_page_last               11902
_journal_paper_doi               10.1021/acs.joc.7b01623
_journal_volume                  82
_journal_year                    2017
_chemical_formula_moiety         'C16 H19 Cl3 N2 O6 S'
_chemical_formula_sum            'C16 H19 Cl3 N2 O6 S'
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_cell_measurement_temperature    293(2)
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_diffrn_measurement_device       'four-circle diffractometer'
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_diffrn_radiation_monochromator  'Rigaku MaxFlux double bounce multi-layer'
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_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_min       -11
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_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            46819
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.876
_diffrn_reflns_theta_min         2.680
_diffrn_source                   'Rigaku microfocus sealed X-ray tube'
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_exptl_absorpt_coefficient_mu    0.600
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.7b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_description       prism
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_parameters     256
_refine_ls_number_reflns         5408
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0348
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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^)+(0.0421P)^2^+0.3188P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0961
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4309
_reflns_number_total             5410
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo7b01623_si_001.cif
_cod_data_source_block           RORE132-D1
_cod_database_code               4033318
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              32027
_shelx_hkl_checksum              24343