Crystallography Open Database

Information card for entry 1566825

Preview

Coordinates	1566825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 N S
Calculated formula	C26 H23 N S
SMILES	S1c2cc3c(cccc3)cc2N(c2c1cccc2)c1ccc(cc1)C(C)(C)C
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	23.8497 ± 0.0009 Å
b	21.8615 ± 0.0007 Å
c	7.9142 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4126.4 ± 0.3 Å³
Cell temperature	201 ± 40 K
Ambient diffraction temperature	201 ± 40 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0987
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.2097
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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.	1566825.cif