Crystallography Open Database

Information card for entry 7156687

Preview

Coordinates	7156687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H12 N4 O2
Calculated formula	C13 H12 N4 O2
Title of publication	tert-Butyl nitrite-mediated radical cyclization of tetrazole amines and alkynes toward tetrazolo[1,5-a]quinolines.
Authors of publication	Liu, Teng; Ji, Yi-Gang; Wu, Lei
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	10
Pages of publication	2619 - 2623
a	8.5827 ± 0.0007 Å
b	11.8639 ± 0.001 Å
c	12.5606 ± 0.001 Å
α	74.85 ± 0.002°
β	89.545 ± 0.002°
γ	88.331 ± 0.002°
Cell volume	1234 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1645
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
225046 (current)	2019-11-08	cif/ Updating files of 7156687 Original log message: Adding full bibliography for 7156687.cif.	7156687.cif
213574	2019-02-09	cif/ Adding structures of 7156687 via cif-deposit CGI script.	7156687.cif