Crystallography Open Database

Information card for entry 7249251

Preview

Coordinates	7249251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 F6 N2 S2
Calculated formula	C29 H18 F6 N2 S2
Title of publication	Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group
Authors of publication	Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	36
Pages of publication	5090 - 5098
a	6.5962 ± 0.0001 Å
b	9.2091 ± 0.0002 Å
c	42.8057 ± 0.0008 Å
α	90°
β	93.645 ± 0.001°
γ	90°
Cell volume	2594.98 ± 0.08 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1303
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295227 (current)	2024-10-06	cif/ Updating files of 7249251, 7249252 Original log message: Adding full bibliography for 7249251--7249252.cif.	7249251.cif
294283	2024-08-30	cif/ Adding structures of 7249251, 7249252 via cif-deposit CGI script.	7249251.cif