Information card for entry 4126766

Structure parameters

• Common name: MLC-VI-120
• Chemical name: maimone98
• Formula: C15 H18 O5
• Calculated formula: C15 H18 O5
• SMILES: [C@H]1(CC[C@@]23[C@@]4(COC(=O)C(=C4C[C@@]12CC(=O)O3)O)C)C
• 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: 7.1443 ± 0.0003 Å
• b: 12.9075 ± 0.0005 Å
• c: 14.265 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1315.45 ± 0.09 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: 0.03
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No