Crystallography Open Database

Information card for entry 7245989

Preview

Coordinates	7245989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H35 N O4
Calculated formula	C44 H35 N O4
SMILES	O(C(=O)/C(=C/c1c(cc(c(c1)c1ccccc1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1)C(=O)OC)C
Title of publication	Colour-tuneable solid-state fluorescence of crystalline powders formed from push–pull substituted 2,5-diphenyl-stilbenes
Authors of publication	Pauk, Karel; Luňák, Stanislav; R°užička, Aleš; Marková, Aneta; Teichmanová, Kateřina; Mausová, Anna; Kratochvíl, Matouš; Smolka, Rastislav; Mikysek, Tomáš; Weiter, Martin; Imramovský, Aleš; Vala, Martin
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	54
Pages of publication	34797 - 34807
a	8.614 ± 0.002 Å
b	19.486 ± 0.004 Å
c	20.323 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3411.3 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0926
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
279816 (current)	2022-12-09	cif/ Adding structures of 7245988, 7245989 via cif-deposit CGI script.	7245989.cif