Information card for entry 7107507

Structure parameters

• Formula: C30 H32 O4
• Calculated formula: C30 H32 O4
• SMILES: O=C1O[C@@]23C(=C1C)C[C@@H]1[C@@]([C@@H]2[C@@H]2[C@@]43OC(=O)C(=C4C[C@@H]3[C@@]2([C@@H]2C[C@@H]2C3=C)C)C)([C@@H]2C[C@@H]2C1=C)C
• Title of publication: Total synthesis of (+)-chloranthalactone F
• Authors of publication: Gang Zhao; Shan Qian
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3530
• a: 11.7192 ± 0.0009 Å
• b: 12.372 ± 0.0009 Å
• c: 16.8928 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2449.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No