Crystallography Open Database

Information card for entry 1566824

Preview

Coordinates	1566824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 O S
Calculated formula	C11 H10 O S
SMILES	Sc1cc2c(cc1OC)cccc2
Title of publication	Extended phenothiazines: synthesis, photophysical and redox properties, and efficient photocatalytic oxidative coupling of amines
Authors of publication	Zhou, Jun; Mao, Lijun; Wu, Meng-Xiang; Peng, Zhiyong; Yang, Yiming; Zhou, Manfei; Zhao, Xiao-Li; Shi, Xueliang; Yang, Hai-Bo
Journal of publication	Chemical Science
Year of publication	2022
a	7.0221 ± 0.0004 Å
b	7.9102 ± 0.0007 Å
c	9.5017 ± 0.0005 Å
α	106.659 ± 0.007°
β	105.234 ± 0.005°
γ	101.17 ± 0.006°
Cell volume	466.74 ± 0.06 Å³
Cell temperature	229 ± 80 K
Ambient diffraction temperature	229 ± 80 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.0794
Weighted residual factors for significantly intense reflections	0.2371
Weighted residual factors for all reflections included in the refinement	0.2415
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299663 (current)	2025-05-14	cif/1: Fixing some Z values and formulae	1566824.cif
274584	2022-04-20	cif/ Adding structures of 1566819, 1566820, 1566821, 1566822, 1566823, 1566824, 1566825, 1566826, 1566827, 1566828 via cif-deposit CGI script.	1566824.cif