Crystallography Open Database

Information card for entry 7249688

Preview

Coordinates	7249688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H34 N4 O2
Calculated formula	C50 H34 N4 O2
Title of publication	Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety
Authors of publication	Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	4
Pages of publication	468 - 473
a	17.3879 ± 0.0003 Å
b	7.727 ± 0.0001 Å
c	27.0872 ± 0.0005 Å
α	90°
β	94.9551 ± 0.0016°
γ	90°
Cell volume	3625.73 ± 0.1 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298188 (current)	2025-03-04	cif/ Updating files of 7249688, 7249689 Original log message: Adding full bibliography for 7249688--7249689.cif.	7249688.cif
296851	2024-12-12	cif/ Adding structures of 7249688, 7249689 via cif-deposit CGI script.	7249688.cif