Information card for entry 7155692

Structure parameters

• Chemical name: presilphiperfolan-8,10,14-triol
• Formula: C15 H26 O3
• Calculated formula: C15 H26 O3
• SMILES: O[C@]12[C@@H]3[C@@H]([C@@H](O)C[C@H]1[C@](C[C@@]2(CC3)C)(C)CO)C
• Title of publication: The formation of sesquiterpenoid presilphiperfolane and cameroonane metabolites in the Bcbot4 null mutant of Botrytis cinerea
• Authors of publication: Franco dos Santos, Gabriel; Moraga, Javier; Takahashi, Jacqueline A.; Viaud, Muriel; Hanson, James R.; Hern�ndez- Gal�n, Rosario; Collado, I. G.
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 9.9836 ± 0.0008 Å
• b: 11.1199 ± 0.0009 Å
• c: 12.6582 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1405.3 ± 0.2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.0578
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No