Information card for entry 2000720

Structure parameters

• Formula: C20 H26 O4
• Calculated formula: C20 H26 O4
• SMILES: C/C=C(\C(O[C@@H]1C=CC([C@@H]2[C@]1(C)CC[C@@H]1[C@H]2OC([C@@H]1C)=O)=C)=O)C
• Title of publication: Two eudesmanolide-type sesquiterpene lactones from <i>Umbelliferae</i>
• Authors of publication: Rychlewska, U.; Szczepańska, B.; Serkerov, S. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 1543 - 1547
• a: 8.035 ± 0.001 Å
• b: 7.208 ± 0.001 Å
• c: 15.887 ± 0.003 Å
• α: 90°
• β: 90.92 ± 0.01°
• γ: 90°
• Cell volume: 920 ± 0.2 ų
• Cell temperature: 292 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 significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 3.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No