Information card for entry 2005658

Structure parameters

• Chemical name: 2-(7,9-Diphenylcyclopenta[a]acenaphthylen-6b-yl)-2-phenylethanol
• Formula: C35 H26 O
• Calculated formula: C35 H26 O
• SMILES: OC[C@@H]([C@]12C(=CC(=C1c1cccc3cccc2c13)c1ccccc1)c1ccccc1)c1ccccc1.OC[C@H]([C@@]12C(=CC(=C1c1cccc3cccc2c13)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)-2-phenylethanol
• Authors of publication: Repo, T.; Klinga, M.; Leskelä, M.; Polamo, M.; Rieger, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2910 - 2912
• a: 11.677 ± 0.002 Å
• b: 12.431 ± 0.002 Å
• c: 9.443 ± 0.002 Å
• α: 108.6 ± 0.03°
• β: 111.44 ± 0.03°
• γ: 89.96 ± 0.03°
• Cell volume: 1198.7 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.1392
• Weighted residual factors for significantly intense reflections: 0.1279
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No