Crystallography Open Database

Information card for entry 7157452

Preview

Coordinates	7157452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 O3
Calculated formula	C25 H18 O3
Title of publication	A visible-light-induced "on-off" one-pot synthesis of 3-arylacetylene coumarins with AIE properties.
Authors of publication	Wu, Xinjie; Jia, Ming; Huang, Mengmeng; Kim, Jung Keun; Zhao, Zheng; Liu, Junkai; Xi, Jinhu; Li, Yabo; Wu, Yangjie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	17
Pages of publication	3346 - 3353
a	21.9993 ± 0.0004 Å
b	12.5762 ± 0.0003 Å
c	13.8028 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3818.79 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1094
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
252908 (current)	2020-06-05	cif/ Updating files of 7157451, 7157452, 7157453, 7157454, 7157455 Original log message: Adding full bibliography for 7157451--7157455.cif.	7157452.cif
250529	2020-04-09	cif/ Adding structures of 7157451, 7157452, 7157453, 7157454, 7157455 via cif-deposit CGI script.	7157452.cif