Information card for entry 2005059

Structure parameters

• Formula: C31 H38 O11
• Calculated formula: C31 H38 O11
• SMILES: COC(=O)[C@@H]([C@H]1C(C)(C)[C@H](OC(=O)C)[C@]2(C(=O)[C@]1(C)[C@H]1CC[C@@]3([C@H](C1=C2)CC(=O)O[C@H]3c1ccoc1)C)O)OC(=O)C
• Title of publication: Humilinolide D
• Authors of publication: Soriano-Garcia, M.; Jimenez, M. A.; Mata, R.; Segura de Correa, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1527 - 1529
• a: 14.51 ± 0.001 Å
• b: 17.248 ± 0.001 Å
• c: 11.908 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2980.2 ± 0.6 ų
• Cell temperature: 296 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 significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.0651
• Goodness-of-fit parameter for significantly intense reflections: 1.32
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No