Information card for entry 1507126

Structure parameters

• Formula: C15 H24 Ho0 O3
• Calculated formula: C15 H24 O3
• SMILES: [C@H]1([C@@H](CC[C@]2(CC[C@@H]([C@@H](CCO)O2)C)O1)C)C#C
• Title of publication: Total synthesis of the proposed structure for spirofungin B: a reassignment of the stereochemistry.
• Authors of publication: Zanatta, Shannon D.; White, Jonathan M.; Rizzacasa, Mark A.
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1041 - 1044
• a: 10.5733 ± 0.001 Å
• b: 8.6107 ± 0.0008 Å
• c: 17.3519 ± 0.0016 Å
• α: 90°
• β: 107.435 ± 0.002°
• γ: 90°
• Cell volume: 1507.2 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No