Crystallography Open Database

Information card for entry 7157453

Preview

Coordinates	7157453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H13 F3 O2
Calculated formula	C24 H13 F3 O2
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	11.8769 ± 0.0008 Å
b	11.865 ± 0.0006 Å
c	14.2912 ± 0.0011 Å
α	90°
β	110.026 ± 0.008°
γ	90°
Cell volume	1892.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.08
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1862
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7157453.cif
250529	2020-04-09	cif/ Adding structures of 7157451, 7157452, 7157453, 7157454, 7157455 via cif-deposit CGI script.	7157453.cif