Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.
Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.; The Journal of organic chemistry 82 (2017) 6738–6747; doi:10.1021/acs.joc.7b00875

data_4032595
_publ_section_title
;
 Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as
 Hydrogen-Bonding Catalysts.
;
_journal_issue                   13
_journal_name_full               'The Journal of organic chemistry'
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_journal_volume                  82
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0428P)^2^+0.4167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6870
_reflns_number_total             7230
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_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 4032595.cif.
;
_cod_database_code               4032595
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