Crystallography Open Database

Information card for entry 7234127

Preview

Coordinates	7234127.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H22 N2 S
Calculated formula	C33 H22 N2 S
SMILES	S1c2ccccc2N(c2ccccc12)c1ccc(C(=C(c2ccccc2)c2ccccc2)C#N)cc1
Title of publication	Phenothiazine modified triphenylacrylonitrile derivates: AIE and mechanochromism tuned by molecular conformation
Authors of publication	Gonghe Zhang; Jingbo Sun; Pengchong Xue; Zhenqi Zhang; Peng Gong; Jiang Peng; Ran Lu
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	2925 - 2932
a	14.1216 ± 0.0006 Å
b	9.9608 ± 0.0006 Å
c	19.0308 ± 0.0008 Å
α	90°
β	107.315 ± 0.004°
γ	90°
Cell volume	2555.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1226
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
218811 (current)	2019-09-25	cif/ Adding structures of 7234126, 7234127 via cif-deposit CGI script.	7234127.cif