Information card for entry 1518893

Structure parameters

• Formula: C20 H24 O7
• Calculated formula: C20 H24 O7
• SMILES: O1C(=O)[C@]2(C[C@@H](O)C[C@@]3(C4=CC(=O)O[C@@H](C4=C[C@@H]1[C@@H]23)[C@@H](C(=O)OC)C)C)C
• Title of publication: Antiproliferative Constituents of the Roots of Ethiopian Podocarpus falcatus and Structure Revision of 2α-Hydroxynagilactone F and Nagilactone I.
• Authors of publication: Addo, Ermias Mekuria; Chai, Hee-Byung; Hymete, Ariaya; Yeshak, Mariamawit Yonathan; Slebodnick, Carla; Kingston, David G. I.; Rakotondraibe, L. Harinantenaina
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 4
• Pages of publication: 827 - 835
• a: 7.7793 ± 0.0001 Å
• b: 11.7726 ± 0.0001 Å
• c: 19.7352 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807.4 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No