Crystallography Open Database

Information card for entry 7234623

Preview

Coordinates	7234623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H12 F8 O
Calculated formula	C26 H12 F8 O
SMILES	Fc1c(F)c2c(c(F)c1F)c(F)c(F)c(F)c2F.c12c(cc3c(c1C(=O)C)cccc3)cccc2
Title of publication	Two-component molecular cocrystals of 9-acetylanthracene with highly tunable one-/two-photon fluorescence and aggregation induced emission
Authors of publication	Shuzhen Li; Yanjun Lin; Dongpeng Yan
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2527 - 2534
a	11.5602 ± 0.0007 Å
b	13.855 ± 0.0005 Å
c	13.7535 ± 0.0007 Å
α	90°
β	113.907 ± 0.006°
γ	90°
Cell volume	2013.9 ± 0.2 Å³
Cell temperature	103.4 K
Ambient diffraction temperature	103.4 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0722
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.119
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
219356 (current)	2019-10-15	cif/ Adding structures of 7234620, 7234621, 7234622, 7234623 via cif-deposit CGI script.	7234623.cif