Information card for entry 2221303

Structure parameters

• Chemical name: 8-(Biphenyl-2-yl)-7,9-diphenyl-8<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-8-ol
• Formula: C39 H26 O
• Calculated formula: C39 H26 O
• SMILES: OC1(C(=C2C(=C1c1ccccc1)c1cccc3cccc2c13)c1ccccc1)c1c(cccc1)c1ccccc1
• Title of publication: 8-(Biphenyl-2-yl)-7,9-diphenyl-8<i>H</i>-cyclopenta[<i>a</i>]acenaphthylen-8-ol
• Authors of publication: Jones, Peter G.; Debeaux, Marc; Hopf, Henning; Kowalsky, Wolfgang; Johannes, Hans-Hermann
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o927
• a: 7.3837 ± 0.0004 Å
• b: 18.4001 ± 0.0012 Å
• c: 19.2505 ± 0.0012 Å
• α: 90°
• β: 97.549 ± 0.003°
• γ: 90°
• Cell volume: 2592.7 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes