Crystallography Open Database

Information card for entry 1566819

Preview

Coordinates	1566819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H25 F6 N S Sb
Calculated formula	C30 H25 F6 N S Sb
SMILES	[Sb](F)(F)(F)([F-])(F)F.S1c2c(N(c3ccc(cc3)C(C)(C)C)c3c1cc1c(c3)cccc1)cc1c(cccc1)c2
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	15.8665 ± 0.0018 Å
b	24.95 ± 0.002 Å
c	16.2233 ± 0.0013 Å
α	90°
β	99.104 ± 0.009°
γ	90°
Cell volume	6341.4 ± 1 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1228
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	1566819.cif