Crystallography Open Database

Information card for entry 7122741

Preview

Coordinates	7122741.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trialkyl diazido oxime
Chemical name	2-Azido-N-(6-azidohexyl)-N-(3-(2-(hydroxyimino)acetyl)phenyl)acetamide
Formula	C16 H20 N8 O3
Calculated formula	C16 H20 N8 O3
Title of publication	Site-Selective Conversion of Azido Groups at Carbonyl α-Positions into Oxime Groups Leading Triazide to Triple Click Conjugation Scaffold
Authors of publication	Yokoi, Taiki; Ueda, Tomomi; Tanimoto, Hiroki; Morimoto, Tsumoru; Kakiuchi, Kiyomi
Journal of publication	Chemical Communications
Year of publication	2018
a	13.5247 ± 0.0004 Å
b	7.64772 ± 0.00017 Å
c	17.748 ± 0.0005 Å
α	90°
β	97.938 ± 0.007°
γ	90°
Cell volume	1818.14 ± 0.09 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
212598 (current)	2018-12-15	cif/ Adding structures of 7122741 via cif-deposit CGI script.	7122741.cif