Crystallography Open Database

Information card for entry 1508377

Preview

Coordinates	1508377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H10 B F4 N5 O2 S
Calculated formula	C6 H10 B F4 N5 O2 S
Title of publication	Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent
Authors of publication	Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	1
Pages of publication	118 - 126
a	24.375 ± 0.001 Å
b	30.163 ± 0.002 Å
c	13.653 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	10038 ± 1.1 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508377.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508377.cif
68918	2012-11-25	cif/ Adding structures of 1508377 via cif-deposit CGI script.	1508377.cif