Crystallography Open Database

Information card for entry 1557668

Preview

Coordinates	1557668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 F2 N O
Calculated formula	C15 H9 F2 N O
SMILES	Fc1cc(F)c(/C=C/c2oc3ccccc3n2)cc1
Title of publication	“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation
Authors of publication	Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong
Journal of publication	Materials Horizons
Year of publication	2020
Journal volume	7
Journal issue	6
Pages of publication	1566 - 1572
a	3.8629 ± 0.0002 Å
b	11.5405 ± 0.0007 Å
c	13.9513 ± 0.0007 Å
α	74.149 ± 0.002°
β	82.55 ± 0.002°
γ	87.829 ± 0.002°
Cell volume	593.24 ± 0.06 Å³
Cell temperature	199 ± 2 K
Ambient diffraction temperature	199 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.065
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
258156 (current)	2020-10-06	cif/ Updating files of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 Original log message: Adding full bibliography for 1557668--1557673.cif.	1557668.cif
254006	2020-07-06	cif/ Updating files of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 Original log message: Adding full bibliography for 1557668--1557673.cif.	1557668.cif
249785	2020-03-27	cif/ Adding structures of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 via cif-deposit CGI script.	1557668.cif