Catalyst-free and metal-free electrophilic bromoamidation of unactivated olefins using the N-bromosuccinimide/sulfonamide protocol.
Yu, Wesley Zongrong; Chen, Feng; Cheng, Yi An; Yeung, Ying-Yeung; The Journal of organic chemistry 80 (2015) 2815–2821; doi:10.1021/jo502416r

data_4030692
_publ_section_title
;
 Catalyst-free and metal-free electrophilic bromoamidation of unactivated
 olefins using the N-bromosuccinimide/sulfonamide protocol.
;
_journal_issue                   5
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2815
_journal_page_last               2821
_journal_paper_doi               10.1021/jo502416r
_journal_volume                  80
_journal_year                    2015
_chemical_formula_sum            'C16 H15 Br F3 N O2 S'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'Not Measured'
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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^)+(0.1018P)^2^+2.1221P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1577
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_reflns_number_gt                2607
_reflns_number_total             3016
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo502416r_si_002.cif
_cod_data_source_block           E236
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/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_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 4030691--4030696.cif.
;
_cod_original_cell_volume        858.7(5)
_cod_database_code               4030692
_shelx_estimated_absorpt_t_min   0.444
_shelx_estimated_absorpt_t_max   0.701
_shelxl_version_number           2013-4
_shelx_res_checksum              62450
_shelx_hkl_checksum              13131