Information card for entry 4126768

Structure parameters

• Common name: mc002
• Formula: C15 H20 O6
• Calculated formula: C15 H20 O6
• SMILES: C1(=O)C[C@@]23[C@@](CC[C@H]2C)([C@]2(C)COC(=O)[C@@]2([C@@H](C3)O)O)O1
• Title of publication: Total Syntheses of (-)-Majucin and (-)-Jiadifenoxolane A, Complex Majucin-Type Illicium Sesquiterpenes.
• Authors of publication: Condakes, Matthew L.; Hung, Kevin; Harwood, Stephen; Maimone, Thomas J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.8553 ± 0.0009 Å
• b: 8.9979 ± 0.0009 Å
• c: 17.3614 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1383.3 ± 0.2 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: 0.0319
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No