Crystallography Open Database

Information card for entry 7234126

Preview

Coordinates	7234126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H26 N2 S
Calculated formula	C35 H26 N2 S
SMILES	S1c2cc(ccc2N(CC)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	9.8704 ± 0.001 Å
b	9.8969 ± 0.0012 Å
c	15.68 ± 0.0012 Å
α	90.723 ± 0.008°
β	104.683 ± 0.008°
γ	116.975 ± 0.011°
Cell volume	1306 ± 0.3 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	0.0621
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1172
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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.	7234126.cif