Crystallography Open Database

Information card for entry 1566827

Preview

Coordinates	1566827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H10 F6 O6 S3
Calculated formula	C18 H10 F6 O6 S3
SMILES	S(c1c(OS(=O)(=O)C(F)(F)F)cc2c(c1)cccc2)c1ccccc1OS(=O)(=O)C(F)(F)F
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	8.4229 ± 0.0002 Å
b	10.6178 ± 0.0002 Å
c	12.2594 ± 0.0002 Å
α	100.265 ± 0.002°
β	102.985 ± 0.002°
γ	94.205 ± 0.002°
Cell volume	1043.88 ± 0.04 Å³
Cell temperature	230 ± 80 K
Ambient diffraction temperature	230 ± 80 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
274584 (current)	2022-04-20	cif/ Adding structures of 1566819, 1566820, 1566821, 1566822, 1566823, 1566824, 1566825, 1566826, 1566827, 1566828 via cif-deposit CGI script.	1566827.cif