Crystallography Open Database

Information card for entry 7245988

Preview

Coordinates	7245988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H32 N2 O2
Calculated formula	C43 H32 N2 O2
SMILES	O=C(OC)C(=C\c1c(cc(c(c1)c1ccccc1)/C=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1)\C#N
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	15.07 ± 0.003 Å
b	9.7398 ± 0.0013 Å
c	22.418 ± 0.003 Å
α	90°
β	97.637 ± 0.008°
γ	90°
Cell volume	3261.3 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1561
Residual factor for significantly intense reflections	0.1037
Weighted residual factors for significantly intense reflections	0.135
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	7245988.cif