Information card for entry 7227745

Structure parameters

• Chemical name: 1,4-bis(5-phenylfuran-2-yl)benzene
• Formula: C26 H18 O2
• Calculated formula: C26 H18 O2
• SMILES: c1ccc(c2oc(c3ccc(c4oc(c5ccccc5)cc4)cc3)cc2)cc1
• Title of publication: Methyl substituent effect on structure, luminescence and semiconducting properties of furan/phenylene co-oligomer single crystals
• Authors of publication: Kazantsev, Maxim S.; Beloborodova, Alina A.; Frantseva, Ekaterina S.; Rybalova, Tatyana V.; Konstantinov, Vladislav G.; Shundrina, Inna K.; Paraschuk, Dmitry Yu.; Mostovich, Evgeny A.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 1809
• a: 20.407 ± 0.004 Å
• b: 7.2998 ± 0.0014 Å
• c: 6.2 ± 0.0011 Å
• α: 90°
• β: 97.773 ± 0.006°
• γ: 90°
• Cell volume: 915.1 ± 0.3 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: 0.0863
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No