Crystallography Open Database

Information card for entry 7246917

Preview

Coordinates	7246917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H12 N4 O
Calculated formula	C26 H12 N4 O
SMILES	o1c2ccccc2c2c1ccc1c2cccc1.N#Cc1c(C#N)cc(C#N)c(C#N)c1
Title of publication	Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression
Authors of publication	Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	27
Pages of publication	3861 - 3865
a	7.9325 ± 0.0003 Å
b	7.8534 ± 0.0004 Å
c	15.8599 ± 0.0008 Å
α	90°
β	99.753 ± 0.002°
γ	90°
Cell volume	973.75 ± 0.08 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.2023
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286098 (current)	2023-09-05	cif/ Updating files of 7246917, 7246918 Original log message: Adding full bibliography for 7246917--7246918.cif.	7246917.cif
284592	2023-06-29	cif/ Adding structures of 7246917, 7246918 via cif-deposit CGI script.	7246917.cif