Crystallography Open Database

Information card for entry 1557673

Preview

Coordinates	1557673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 F N O
Calculated formula	C15 H10 F N O
SMILES	Fc1ccc(/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	6.6501 ± 0.0004 Å
b	26.3347 ± 0.0015 Å
c	7.4237 ± 0.0005 Å
α	90°
β	115.269 ± 0.003°
γ	90°
Cell volume	1175.7 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.2251
Weighted residual factors for all reflections included in the refinement	0.2322
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1557673.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.	1557673.cif
249785	2020-03-27	cif/ Adding structures of 1557668, 1557669, 1557670, 1557671, 1557672, 1557673 via cif-deposit CGI script.	1557673.cif