Crystallography Open Database

Information card for entry 7226610

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Coordinates	7226610.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	furan/phenylene co-oligomer BPFB
Chemical name	1,4-bis(5-phenylfuran-2-yl)benzene
Formula	C26 H18 O2
Calculated formula	C26 H18 O2
SMILES	o1c(c2ccccc2)ccc1c1ccc(c2oc(c3ccccc3)cc2)cc1
Title of publication	Highly-Emissive Solution-Grown Furan/Phenylene Co-Oligomer Single Crystals
Authors of publication	Kazantsev, Maxim S.; Frantseva, Ekaterina Sergeevna; Kudryashova, Ludmila Gennadievna; Konstantinov, Vladislav Georgievich; Mannanov, Artur Amirovich; Rybalova, T. V.; Karpova, Elena Viktorovna; Shundrina, Inna; Kamaev, Gennadiy Nikolayevich; Pshenischnikov, Maxim; Mostovich, Evgeny A.; Paraschuk, Dmitry
Journal of publication	RSC Adv.
Year of publication	2016
a	20.4117 ± 0.0019 Å
b	7.2937 ± 0.0008 Å
c	6.2 ± 0.0005 Å
α	90°
β	97.731 ± 0.003°
γ	90°
Cell volume	914.65 ± 0.15 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	3
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	0.0589
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.186
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
186737 (current)	2016-09-23	cif/ Adding structures of 7226610 via cif-deposit CGI script.	7226610.cif