Information card for entry 1547152

Structure parameters

• Formula: C17 H24 O2
• Calculated formula: C17 H24 O2
• SMILES: O=C1[C@@H]2[C@H]3CCC(=CC[C@@]3(CC(=O)[C@@]2(CC1)C)C)C
• Title of publication: The total synthesis of (-)-cyanthiwigin F by means of double catalytic enantioselective alkylation
• Authors of publication: John A. Enquist Jr; Brian M. Stoltz
• Journal of publication: Nature
• Year of publication: 2008
• Journal volume: 453
• Pages of publication: 1228 - 1231
• a: 7.4937 ± 0.0002 Å
• b: 9.0345 ± 0.0002 Å
• c: 21.4487 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.12 ± 0.06 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: 0.0391
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.394
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No