Information card for entry 1503733

Structure parameters

• Formula: C15 H24 O5
• Calculated formula: C15 H24 O5
• SMILES: O1CC2=C([C@@]([C@H]3CC(C[C@H]3[C@@H]2O)(C)C)(CO)C)C1=O.O
• Title of publication: Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.
• Authors of publication: Zheng, Yongbiao; Shen, Yuemao
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 109 - 112
• a: 6.4397 ± 0.0002 Å
• b: 15.3604 ± 0.0004 Å
• c: 31.2247 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088.63 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No