Information card for entry 2006120

Structure parameters

• Chemical name: 2-(7,9-Diphenylcyclopenta[a]acenaphtadien-6b-yl)ethylbromide
• Formula: C29 H21 Br
• Calculated formula: C29 H21 Br
• SMILES: BrCCC12C(=CC(=C1c1cccc3cccc2c13)c1ccccc1)c1ccccc1
• Title of publication: 2-(7,9-Diphenylcyclopenta[<i>a</i>]acenaphthadien-6b-yl)ethylbromide
• Authors of publication: Gerhard Jany; Marina Gustafsson; Timo Repo; Martti Klinga; Markku Leskelä
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 644 - 646
• a: 16.353 ± 0.009 Å
• b: 30.264 ± 0.009 Å
• c: 8.461 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4187 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections: 0.2757
• Weighted residual factors for significantly intense reflections: 0.1871
• Goodness-of-fit parameter for all reflections: 1.119
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No