Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.
Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas; The Journal of organic chemistry 82 (2017) 11494–11504; doi:10.1021/acs.joc.7b02027

data_4033010
_publ_section_title
;
 Nucleofuge Generating Glycosidations by the Remote Activation of
 Hydroxybenzotriazolyl Glycosides.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11494
_journal_page_last               11504
_journal_paper_doi               10.1021/acs.joc.7b02027
_journal_volume                  82
_journal_year                    2017
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_crystal_colour            COLORLESS
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_refine_ls_abs_structure_details
;
 Flack x determined using 1051 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.0(5)
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.1757
_refine_ls_R_factor_gt           0.0782
_refine_ls_shift/su_max          0.000
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.8002P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1851
_refine_ls_wR_factor_ref         0.2318
_reflns_Friedel_coverage         0.733
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                3328
_reflns_number_total             6640
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo7b02027_si_002.cif
_cod_data_source_block           Mahesh
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_absolute_configuration' value 'UNK' changed to 'unk'
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 4033010.cif.
;
_cod_original_cell_volume        3580.4(6)
_cod_database_code               4033010
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