Information card for entry 2015160

Structure parameters

• Chemical name: 9,9-di-n-octyl-9H-fluorene
• Formula: C29 H42
• Calculated formula: C29 H42
• SMILES: CCCCCCCCC1(CCCCCCCC)c2ccccc2c2c1cccc2
• Title of publication: 9,9-Di-<i>n</i>-octyl-9<i>H</i>-fluorene
• Authors of publication: McFarlane, Shaune; McDonald, Robert; Veinot, Jonathan G. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o671 - o673
• a: 13.9223 ± 0.0018 Å
• b: 14.2423 ± 0.0018 Å
• c: 21.57 ± 0.003 Å
• α: 83.079 ± 0.002°
• β: 72.024 ± 0.002°
• γ: 70.605 ± 0.002°
• Cell volume: 3836.6 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1046
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No