Information card for entry 7226610

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 ų
• 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 Fobs: No