Information card for entry 4126769

Structure parameters

• Common name: MC001
• Formula: C15 H20 O6
• Calculated formula: C15 H20 O6
• SMILES: [C@H]1(C(=O)OC[C@]2(C)[C@@]1(C[C@@]13[C@H](C)CC[C@@]21OC(=O)C3)O)O
• 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: 9.1952 ± 0.0003 Å
• b: 7.0323 ± 0.0002 Å
• c: 11.6867 ± 0.0004 Å
• α: 90°
• β: 110.96 ± 0.002°
• γ: 90°
• Cell volume: 705.7 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No