Crystallography Open Database

Information card for entry 7055052

Preview

Coordinates	7055052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 N O
Calculated formula	C27 H21 N O
SMILES	N(c1ccccc1)(c1ccc(/C=C/C(=O)c2ccccc2)cc1)c1ccccc1
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	12.1179 ± 0.0007 Å
b	17.3412 ± 0.001 Å
c	9.5281 ± 0.0006 Å
α	90°
β	91.21 ± 0.004°
γ	90°
Cell volume	2001.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.0905
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.7107 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.	7055052.cif
153485	2015-08-18	cif/ Adding structures of 7055051, 7055052 via cif-deposit CGI script.	7055052.cif