Information card for entry 1547725

Structure parameters

• Formula: C27.6 H43 O6.9
• Calculated formula: C24 H34 O6
• SMILES: O1C(=O)[C@@H]2[C@@H](OC(=O)[C@@]32CCC=C[C@H]3/C=C/[C@@H]2O[C@@H](C[C@@H]2O)C)[C@H]1CCCCCC
• Title of publication: Sporothriolide-Related Compounds from the Fungus Hypoxylon monticulosum CLL-205 Isolated from a Sphaerocladina Sponge from the Tahiti Coast.
• Authors of publication: Leman-Loubière, Charlotte; Le Goff, Géraldine; Retailleau, Pascal; Debitus, Cécile; Ouazzani, Jamal
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 2850 - 2854
• a: 15.446 ± 0.004 Å
• b: 5.9493 ± 0.0012 Å
• c: 15.55 ± 0.004 Å
• α: 90°
• β: 103.722 ± 0.008°
• γ: 90°
• Cell volume: 1388.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1365
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No