Crystallography Open Database

Information card for entry 7234409

Preview

Coordinates	7234409.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H14 N4 O2 S2
Calculated formula	C24 H14 N4 O2 S2
SMILES	s1nc2C3=C4[C@](Oc5ccccc45)(C)[C@@]4(Oc5c(C4=C3c3nsnc3c2n1)cccc5)C.s1nc2C3=C4[C@@](Oc5ccccc45)(C)[C@]4(Oc5c(C4=C3c3nsnc3c2n1)cccc5)C
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	12.725 ± 0.004 Å
b	19.714 ± 0.006 Å
c	15.431 ± 0.005 Å
α	90°
β	90.046 ± 0.005°
γ	90°
Cell volume	3871 ± 2 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	0.1277
Residual factor for significantly intense reflections	0.0677
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.209
Goodness-of-fit parameter for all reflections included in the refinement	0.951
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.	7234409.cif