Crystallography Open Database

Information card for entry 7156667

Preview

Coordinates	7156667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H0.12 N4 S
Calculated formula	C12 H10 N4 S
Title of publication	A silver(i)-catalyzed cascade bicyclization strategy for synthesis of 5H-benzo[d]tetrazolo[5,1-b][1,3]thiazines.
Authors of publication	Miao, Jiankang; Zhang, Yahui; Sang, Xiaoyan; Hao, Wenyan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	9
Pages of publication	2336 - 2340
a	14.8813 ± 0.0008 Å
b	8.3305 ± 0.0005 Å
c	18.5422 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2298.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1565
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
225218 (current)	2019-11-08	cif/ Updating files of 7156666, 7156667 Original log message: Adding full bibliography for 7156666--7156667.cif.	7156667.cif
213497	2019-02-05	cif/ Adding structures of 7156666, 7156667 via cif-deposit CGI script.	7156667.cif