Crystallography Open Database

Information card for entry 7234136

Preview

Coordinates	7234136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N O
Calculated formula	C28 H21 N O
SMILES	N#CC(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccc(OC)cc1
Title of publication	Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli
Authors of publication	Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	3049 - 3054
a	10.034 ± 0.0003 Å
b	10.13 ± 0.0003 Å
c	23.553 ± 0.0006 Å
α	77.824 ± 0.002°
β	84.358 ± 0.002°
γ	65.81 ± 0.003°
Cell volume	2134.5 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1305
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
218819 (current)	2019-09-25	cif/ Adding structures of 7234135, 7234136, 7234137 via cif-deposit CGI script.	7234136.cif