Information card for entry 4024731

Structure parameters

• Formula: C10 H18 O2
• Calculated formula: C10 H18 O2
• SMILES: [C@H]1(C(=CC[C@@H](C1)[C@H](CO)C)C)O
• Title of publication: A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment
• Authors of publication: Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5458 - 5470
• a: 8.7131 ± 0.001 Å
• b: 8.9587 ± 0.0011 Å
• c: 12.5043 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 976.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No