Information card for entry 1501804

Structure parameters

• Formula: C15 H23.5 O5
• Calculated formula: C15 H23.5 O5
• SMILES: O[C@H]1[C@H]2[C@](O)(CC[C@H]3[C@H]2[C@](O)(C1=C)C(=O)C[C@@H]3C)C.O
• Title of publication: Stereumins H-J, stereumane-type sesquiterpenes from the fungus Stereum sp.
• Authors of publication: Li, Guohong; Liu, Fangfang; Shen, Lan; Zhu, Huajie; Zhang, Keqin
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 2
• Pages of publication: 296 - 299
• a: 8.583 ± 0.002 Å
• b: 9.549 ± 0.003 Å
• c: 11.107 ± 0.003 Å
• α: 73.568 ± 0.004°
• β: 69.697 ± 0.003°
• γ: 67.017 ± 0.004°
• Cell volume: 774.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2028
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.1952
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No