Information card for entry 1551991

Structure parameters

• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: c1(cocc1)C(=O)C[C@@H]1[C@H](CCCC1(C)C)C=O
• Title of publication: Concise synthesis of ricciocarpin A and discovery of a more potent analogue
• Authors of publication: Anna Michrowska; Benjamin List
• Journal of publication: Nature Chemistry
• Year of publication: 2009
• Journal volume: 1
• Pages of publication: 225 - 228
• a: 5.8389 ± 0.0001 Å
• b: 15.0931 ± 0.0003 Å
• c: 15.1405 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.29 ± 0.04 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: 0.0485
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No