Crystallography Open Database

Information card for entry 7134308

Preview

Coordinates	7134308.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 N O2 S
Calculated formula	C15 H15 N O2 S
Title of publication	Radical-mediated chemo-divergent recyclization of 1,2,3,4-benzothiatriazine-1,1-dioxides: alkyl migration and dearomatization.
Authors of publication	Nan, Jiang; Yang, Shuai; Huang, Guanjie; Fan, Liangxin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	29
Pages of publication	5503 - 5506
a	18.433 ± 0.003 Å
b	14.974 ± 0.002 Å
c	4.8692 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1344 ± 0.4 Å³
Cell temperature	276 ± 2 K
Ambient diffraction temperature	276 ± 2 K
Number of distinct elements	5
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	0.1263
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
298741 (current)	2025-04-05	cif/ Updating files of 7134308, 7134309, 7134310 Original log message: Adding full bibliography for 7134308--7134310.cif.	7134308.cif
298349	2025-03-11	cif/ Adding structures of 7134308, 7134309, 7134310 via cif-deposit CGI script.	7134308.cif