Crystallography Open Database

Information card for entry 1566828

Preview

Coordinates	1566828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H11.5 F3 N0.5 S0.5 Sb0.5
Calculated formula	C13 H11.5 F3 N0.5 S0.5 Sb0.5
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	27.184 ± 0.005 Å
b	6.8384 ± 0.0013 Å
c	19.415 ± 0.004 Å
α	90°
β	133.036 ± 0.003°
γ	90°
Cell volume	2638 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1625
Weighted residual factors for all reflections included in the refinement	0.1914
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1566828.cif