Crystallography Open Database

Information card for entry 7055051

Preview

Coordinates	7055051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 N2 O
Calculated formula	C26 H20 N2 O
SMILES	c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/C=C/C(=O)c1ccccn1
Title of publication	The solvatochromism and aggregation-induced enhanced emission based on triphenylamine-propenone
Authors of publication	Liang, Zuo-Qin; Wang, Xiao-Mei; Dai, Guo-Liang; Ye, Chang-Qing; Zhou, Yu-Yang; Tao, Xu-Tang
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8874
a	12.0342 ± 0.0003 Å
b	17.4069 ± 0.0004 Å
c	9.4392 ± 0.0002 Å
α	90°
β	91.757 ± 0.002°
γ	90°
Cell volume	1976.38 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.096
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1864
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
171311 (current)	2015-12-09	cif/ Updating files of 7055051, 7055052 Original log message: Adding full bibliography for 7055051--7055052.cif.	7055051.cif
153485	2015-08-18	cif/ Adding structures of 7055051, 7055052 via cif-deposit CGI script.	7055051.cif