Crystallography Open Database

Information card for entry 7234411

Preview

Coordinates	7234411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 N4 O2 S4
Calculated formula	C32 H26 N4 O2 S4
SMILES	s1c(c(c(c1C)c1c2nsnc2c2nsnc2c1c1c(sc(c1C)c1ccc(OC)cc1)C)C)c1ccc(OC)cc1
Title of publication	Sterically hindered diarylethenes with a benzobis(thiadiazole) bridge: photochemical and kinetic studies
Authors of publication	Wenlong Li; Yunsong Cai; Xin Li; Hans Agren; He Tian; Wei-Hong Zhu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	8665 - 8674
a	9.77 ± 0.002 Å
b	16.009 ± 0.004 Å
c	18.723 ± 0.004 Å
α	90°
β	97.167 ± 0.004°
γ	90°
Cell volume	2905.5 ± 1.1 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1676
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1637
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219123 (current)	2019-10-07	cif/ Adding structures of 7234409, 7234410, 7234411 via cif-deposit CGI script.	7234411.cif