Information card for entry 1529306

Structure parameters

• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: O1[C@H]2[C@H](C[C@@H]3C(=CC[C@]3(O)C)[C@@](O)(C2)C)C(=C)C1=O
• Title of publication: Guaianolides and a seco-Eudesmane from the Resinous Exudates of Cushion Bush (Leucophyta brownii) and Evaluation of Their Cytostatic and Anti-inflammatory Activity.
• Authors of publication: Hyldgaard, Mette G.; Purup, Stig; Bond, Andrew D.; Fretté, Xavier C; Qu, Haiyan; Jensen, Katrine T.; Christensen, Lars P.
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 8
• Pages of publication: 1877 - 1885
• a: 7.9409 ± 0.0005 Å
• b: 6.3235 ± 0.0006 Å
• c: 13.5701 ± 0.0009 Å
• α: 90°
• β: 97.834 ± 0.006°
• γ: 90°
• Cell volume: 675.05 ± 0.09 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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 all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No