Crystallography Open Database

Information card for entry 7234135

Preview

Coordinates	7234135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 N O
Calculated formula	C28 H21 N O
SMILES	O(c1ccc(cc1)c1ccc(C(=C(c2ccccc2)c2ccccc2)C#N)cc1)C
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	11.0759 ± 0.0007 Å
b	29.6119 ± 0.0013 Å
c	7.7409 ± 0.0004 Å
α	90°
β	122.9 ± 0.005°
γ	90°
Cell volume	2131.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	7234135.cif