Catalytic Asymmetric Diamination of Styrenes.
Muñiz, Kilian; Barreiro, Laura; Romero, R Martín; Martínez, Claudio; Journal of the American Chemical Society 139 (2017) 4354–4357; doi:10.1021/jacs.7b01443

data_4125868
_publ_section_title
;
 Catalytic Asymmetric Diamination of Styrenes.
;
_journal_issue                   12
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;
 Fullsphere data collection, phi and omega scans
;
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; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
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;
 Flack x determined using 5269 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.018(16)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0262P)^2^+16.0328P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1244
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_reflns_Friedel_fraction_full    0.835
_reflns_Friedel_fraction_max     0.715
_reflns_number_gt                13601
_reflns_number_total             14003
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b01443_si_003.cif
_cod_data_source_block           mo_RM-cat-c_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/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_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/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.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4125868.cif.
;
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