A concomitant allylic azide rearrangement/intramolecular azide-alkyne cycloaddition sequence.
Vekariya, Rakesh H; Liu, Ruzhang; Aubé, Jeffrey; Organic letters 16 (2014) 1844–1847; doi:10.1021/ol500011f

data_1514202
_publ_section_title
;
 A concomitant allylic azide rearrangement/intramolecular azide-alkyne
 cycloaddition sequence.
;
_journal_issue                   7
_journal_name_full               'Organic letters'
_journal_page_first              1844
_journal_page_last               1847
_journal_paper_doi               10.1021/ol500011f
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C18 H21 N3 O'
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_diffrn_radiation_monochromator  'Helios multilayer optics'
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
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_refine_ls_extinction_coef       0.00103(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0326
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0351P)^2^+1.4564P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0792
_reflns_number_gt                2706
_reflns_number_total             2712
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol500011f_si_001.cif
_cod_data_source_block           27a
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for
 ./tmp-cod-update-bibliographies-8800/cifs/1514202.cif.
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_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               1514202