Crystallography Open Database

Information card for entry 1564228

Preview

Coordinates	1564228.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	18.2491 ± 0.0007 Å
b	10.9875 ± 0.0004 Å
c	33.644 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	6746 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0535
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.4146 Å
Diffraction radiation type	synchrotron
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.	1564228.cif