Information card for entry 4112234

Structure parameters

• Formula: C17 H24 O4
• Calculated formula: C17 H24 O4
• SMILES: [C@@H]1(CC=C([C@@H]2[C@H]3C(=C(C[C@@H]([C@H]12)O3)O)C(=O)OC)C)C(C)C
• Title of publication: Toward a General Route to the Eunicellin Diterpenes: The Asymmetric Total Synthesis of Deacetoxyalcyonin Acetate
• Authors of publication: Gary A. Molander; David J. St. Jean; Julia Haas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1642 - 1643
• a: 6.5819 ± 0.0002 Å
• b: 11.1635 ± 0.0003 Å
• c: 21.5458 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.12 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.1052
• Goodness-of-fit parameter for all reflections: 1.048
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No