Crystallography Open Database

Information card for entry 1550847

Preview

Coordinates	1550847.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H24 N2 O2
Calculated formula	C29 H24 N2 O2
SMILES	O(c1ccc(N(c2ccc(/C=C(/c3ccccc3)C#N)cc2)c2ccc(OC)cc2)cc1)C
Title of publication	Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.
Authors of publication	Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng
Journal of publication	Nanoscale
Year of publication	2019
Journal volume	11
Journal issue	17
Pages of publication	8597 - 8603
a	10.8798 ± 0.0004 Å
b	11.8215 ± 0.0004 Å
c	35.5224 ± 0.0013 Å
α	90°
β	90.737 ± 0.004°
γ	90°
Cell volume	4568.4 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0842
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
224662 (current)	2019-11-08	cif/ Updating files of 1550847, 1550848, 1550849 Original log message: Adding full bibliography for 1550847--1550849.cif.	1550847.cif
214530	2019-04-06	cif/ Adding structures of 1550847, 1550848, 1550849 via cif-deposit CGI script.	1550847.cif