Information card for entry 4114320

Structure parameters

• Formula: C17 H20 O
• Calculated formula: C17 H20 O
• Title of publication: Cascade Cyclizations and Couplings Involving Nickel Enolates
• Authors of publication: Gireesh M. Mahandru; Andy R. L. Skauge; Sanjoy K. Chowdhury; Kande K. D. Amarasinghe; Mary Jane Heeg; John Montgomery
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13481 - 13485
• a: 16.0423 ± 0.0015 Å
• b: 16.0437 ± 0.0016 Å
• c: 21.991 ± 0.002 Å
• α: 90°
• β: 98.632 ± 0.002°
• γ: 90°
• Cell volume: 5595.9 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2863
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No