Information card for entry 1504465

Structure parameters

• Formula: C23 H36 O3
• Calculated formula: C23 H36 O3
• SMILES: [C@@]12(CC[C@H]3C([C@H](CC[C@@]3([C@H]1Cc1ccc(c(c21)O)C)C)O)(C)C)C.OC
• Title of publication: Tetracyclic terpenoids from Dasyscyphus niveus, dasyscyphins D and E.
• Authors of publication: Liermann, Johannes C.; Kolshorn, Heinz; Anke, Heidrun; Thines, Eckhard; Opatz, Till
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1654 - 1656
• a: 16.4914 ± 0.0018 Å
• b: 19.995 ± 0.004 Å
• c: 6.399 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2110 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1797
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2617
• Weighted residual factors for all reflections included in the refinement: 0.3326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No