Information card for entry 7213430

Structure parameters

• Formula: C17 H18 O2
• Calculated formula: C17 H18 O2
• Title of publication: Stereochemical and mechanistic features of asymmetric Pauson‒Khand processes
• Authors of publication: Kennedy, Alan R.; Kerr, William J.; Lindsay, David M.; Scott, James S.; Watson, Stephen P.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4366
• a: 9.538 ± 0.002 Å
• b: 16.348 ± 0.004 Å
• c: 8.395 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1309 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0429
• Goodness-of-fit parameter for significantly intense reflections: 1.525
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No