Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines and Isoxazolidines.
Alamillo-Ferrer, Carla; Curle, Jonathan M.; Davidson, Stuart C.; Lucas, Simon C. C.; Atkinson, Stephen J.; Campbell, Matthew; Kennedy, Alan R.; Tomkinson, Nicholas C. O.; The Journal of organic chemistry 83 (2018) 6728–6740; doi:10.1021/acs.joc.8b00392

data_4035826
_publ_section_title
;
 Alkene Oxyamination Using Malonoyl Peroxides: Preparation of Pyrrolidines
 and Isoxazolidines.
;
_journal_issue                   12
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              6728
_journal_page_last               6740
_journal_paper_doi               10.1021/acs.joc.8b00392
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C24 H27 N O8 S'
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_space_group_crystal_system      monoclinic
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_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur E'
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_k_min       -9
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_diffrn_reflns_theta_min         3.234
_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_T_min  0.86786
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.40 (release 27-08-2010 CrysAlis171 .NET)
(compiled Aug 27 2010,11:50:40)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_description       'cut from large needle'
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_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5410
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0691
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0300P)^2^+2.0380P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1081
_refine_ls_wR_factor_ref         0.1166
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4469
_reflns_number_total             5410
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b00392_si_002.cif
_cod_data_source_block           tom_stuart_needles
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4035826
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              59363
_shelx_hkl_checksum              64742