Crystallography Open Database

Information card for entry 1564231

Preview

Coordinates	1564231.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,2-Bis(2-methyl-5-(phenyl-3-trimethylsilyl)thien-3-yl)perfluorocyclopentene
Formula	C33 H34 F6 S2 Si2
Calculated formula	C33 H34 F6 S2 Si2
Title of publication	Molecular crystalline capsules that release their contents by light
Authors of publication	Nagai, Akira; Nishimura, Ryo; Hattori, Yohei; Hatano, Eri; Fujimoto, Ayako; Morimoto, Masakazu; Yasuda, Nobuhiro; Kamada, Kenji; Sotome, Hikaru; Miyasaka, Hiroshi; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Journal of publication	Chemical Science
Year of publication	2021
a	18.127 ± 0.0013 Å
b	10.9066 ± 0.0006 Å
c	33.637 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6650.2 ± 0.7 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.0929
Weighted residual factors for all reflections included in the refinement	0.107
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
267707 (current)	2021-07-23	cif/ Adding structures of 1564223, 1564224, 1564225, 1564226, 1564227, 1564228, 1564229, 1564230, 1564231, 1564232 via cif-deposit CGI script.	1564231.cif