Information card for entry 2014844

Structure parameters

• Chemical name: 9,9'-spirobifluorene
• Formula: C25 H16
• Calculated formula: C25 H16
• SMILES: C12(c3ccccc3c3ccccc13)c1ccccc1c1ccccc21
• Title of publication: A new polymorph and two inclusion compounds of 9,9'-spirobifluorene
• Authors of publication: Douthwaite, Richard E.; Taylor, Andrew; Whitwood, Adrian C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o328 - o331
• a: 18.2491 ± 0.0017 Å
• b: 11.1522 ± 0.001 Å
• c: 18.6918 ± 0.0017 Å
• α: 90°
• β: 117.907 ± 0.002°
• γ: 90°
• Cell volume: 3361.7 ± 0.5 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 2
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes