Information card for entry 1547479

Structure parameters

• Formula: C20 H24 O6
• Calculated formula: C20 H24 O6
• SMILES: O1C2(OCC1)C[C@@]1([C@@]3([C@@H]4[C@]2(CC(=O)[C@H]34)C)C=C(OC(=O)OC)C=CC1)C
• Title of publication: Enantioselective Synthesis of the 5-6-7 Carbocyclic Core of the Gagunin Diterpenoids
• Authors of publication: Shibuya, Grant M.; Enquist, John A., Jr.; Stoltz, Brian M.
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Pages of publication: 3480 - 3483
• a: 7.3454 ± 0.0003 Å
• b: 10.9165 ± 0.0005 Å
• c: 22.3527 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1792.37 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0551
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 2.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No