Information card for entry 7233712

Structure parameters

• Formula: C31 H20
• Calculated formula: C31 H20
• SMILES: c1(c2c3ccccc3C3(c2ccc1)c1ccccc1c1ccccc31)c1ccccc1
• Title of publication: 9,9'-Spirobifluorene and 4-phenyl-9,9'-spirobifluorene: pure hydrocarbon small molecules as hosts for efficient green and blue PhOLEDs
• Authors of publication: Sebastien Thiery; Denis Tondelier; Celine Declairieux; Gijun Seo; Bernard Geffroy; Olivier Jeannin; Joelle Rault-Berthelot; Remi Metivier; Cyril Poriel
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 4156 - 4166
• a: 9.7817 ± 0.0003 Å
• b: 13.874 ± 0.0005 Å
• c: 16.008 ± 0.0005 Å
• α: 106.112 ± 0.001°
• β: 91.443 ± 0.001°
• γ: 92.93 ± 0.001°
• Cell volume: 2082.65 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No