Information card for entry 4023104

Structure parameters

• Formula: C11 H17 O2
• Calculated formula: C11 H18 O2
• SMILES: O[C@@H]([C@H](C#C)C)C(C)(C)C(=O)CC
• Title of publication: Total Synthesis of (+)-Acutiphycin
• Authors of publication: Ryan M. Moslin; Timothy F. Jamison
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 9736 - 9745
• a: 6.6268 ± 0.0002 Å
• b: 11.6519 ± 0.0005 Å
• c: 13.942 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1076.53 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No