Information card for entry 2000719

Structure parameters

• Formula: C20 H24 O5
• Calculated formula: C20 H24 O5
• SMILES: [C@H]1([C@H]2[C@@H](C(=C)[C@H]3[C@H]4[C@@H](CC[C@]13C)C(=C)C(=O)O4)O2)OC(=O)/C(=C\C)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: 7.842 ± 0.001 Å
• b: 13.84 ± 0.002 Å
• c: 8.536 ± 0.001 Å
• α: 90°
• β: 100.04 ± 0.01°
• γ: 90°
• Cell volume: 912.3 ± 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: 0.039
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 3.4
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No