Crystallography Open Database

Information card for entry 1540736

Preview

Coordinates	1540736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O2
Calculated formula	C14 H12 N2 O2
SMILES	Oc1c(/C=N/N=C/c2c(O)cccc2)cccc1
Title of publication	Fluorescence Aggregation-Caused Quenching versus Aggregation-Induced Emission: A Visual Teaching Technology for Undergraduate Chemistry Students
Authors of publication	Ma, Xiaofeng; Sun, Rui; Cheng, Jinghui; Liu, Jiaoyan; Gou, Fei; Xiang, Haifeng; Zhou, Xiangge
Journal of publication	Journal of Chemical Education
Year of publication	2016
Journal volume	93
Journal issue	2
Pages of publication	345
a	8.5418 ± 0.0014 Å
b	6.32 ± 0.0012 Å
c	11.847 ± 0.002 Å
α	90°
β	107.98 ± 0.02°
γ	90°
Cell volume	608.3 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.0719
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0828
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
186955 (current)	2016-10-05	cif/ Updating files of 1540736 Original log message: Adding full bibliography for 1540736.cif.	1540736.cif
171825	2016-01-01	cif/ Adding structures of 1540736 via cif-deposit CGI script.	1540736.cif