Crystallography Open Database

Information card for entry 1566823

Preview

Coordinates	1566823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H69 N S
Calculated formula	C74 H69 N S
SMILES	S1c2cc3c(c4c(cc(cc4C)C)C)c4ccccc4c(c4c(cc(cc4C)C)C)c3cc2N(c2ccc(cc2)C(C)(C)C)c2cc3c(c4c(cc(cc4C)C)C)c4ccccc4c(c4c(cc(cc4C)C)C)c3cc12
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	7.169 ± 0.0001 Å
b	17.2492 ± 0.0003 Å
c	25.1684 ± 0.0005 Å
α	106.66 ± 0.002°
β	90.552 ± 0.002°
γ	96.116 ± 0.002°
Cell volume	2962.06 ± 0.09 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1453
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	1566823.cif