Information card for entry 7107401

Structure parameters

• Formula: C20 H25 O4.5
• Calculated formula: C20 H25 O4.5
• SMILES: [C@H]1([C@H](C[C@@H]2[C@@H]([C@H]1c1ccc(c(c1)OC)OC)C=CC(=O)C2)C)C=O.O
• Title of publication: Enantioselective total synthesis of (+)-galbulin via organocatalytic domino Michael-Michael-aldol condensation
• Authors of publication: Bor-Cherng Hong; Che-Sheng Hsu; Gene-Hsiang Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2385
• a: 13.2097 ± 0.0007 Å
• b: 8.5716 ± 0.0005 Å
• c: 17.6477 ± 0.0009 Å
• α: 90°
• β: 111.551 ± 0.001°
• γ: 90°
• Cell volume: 1858.52 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1072
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No