Information card for entry 4022743

Structure parameters

• Formula: C11 H20 O
• Calculated formula: C11 H20 O
• SMILES: O[C@@]12CCCCCC[C@@H]1CCC2.O[C@]12CCCCCC[C@H]1CCC2
• Title of publication: Construction of Bicyclic Ring Systems via a Transannular SmI~2~-Mediated Ketone-Olefin Cyclization Strategy
• Authors of publication: Gary A. Molander; Barbara Czakó; Michael Rheam
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1755 - 1764
• a: 15.694 ± 0.002 Å
• b: 15.694 ± 0.002 Å
• c: 8.2592 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034.2 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.3133
• Weighted residual factors for all reflections included in the refinement: 0.3359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No