Crystallography Open Database

Information card for entry 7134329

Preview

Coordinates	7134329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 F6 Se2
Calculated formula	C23 H14 F6 Se2
Title of publication	Synthesis and photochromism of a turn-on fluorescent diarylethene having benzo[b]selenophene groups as the aryl units
Authors of publication	Watanabe, Yoshiyuki; Kim, Sunnam; Kosumi, Daisuke; Kitagawa, Daichi; Kobatake, Seiya; Fukaminato, Tsuyoshi
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	34
Pages of publication	6304 - 6307
a	13.7002 ± 0.0003 Å
b	21.455 ± 0.0005 Å
c	27.9931 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8228.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300527 (current)	2025-07-06	cif/ Updating files of 7134329, 7134330 Original log message: Adding full bibliography for 7134329--7134330.cif.	7134329.cif
298466	2025-03-16	cif/ Adding structures of 7134329, 7134330 via cif-deposit CGI script.	7134329.cif