Crystallography Open Database

Information card for entry 7246151

Preview

Coordinates	7246151.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(4-azidophenyl)methanol
Formula	C19 H13 N9 O
Calculated formula	C19 H13 N9 O
SMILES	OC(c1ccc(cc1)N=N#N)(c1ccc(cc1)N=N#N)c1ccc(cc1)N=N#N
Title of publication	Tris(4-azidophenyl)methanol – a novel and multifunctional thiol protecting group
Authors of publication	Qiu, Xujun; Brückel, Julian; Zippel, Christoph; Nieger, Martin; Biedermann, Frank; Bräse, Stefan
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	4
Pages of publication	2483 - 2486
a	10.422 ± 0.003 Å
b	17.54 ± 0.006 Å
c	10.109 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1847.9 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280414 (current)	2023-01-18	cif/ Adding structures of 7246151 via cif-deposit CGI script.	7246151.cif