Information card for entry 1518894

Structure parameters

• Formula: C18 H22 O7
• Calculated formula: C18 H22 O7
• SMILES: O1C(=O)[C@]2([C@@H](O)[C@H]3O[C@H]3[C@@]3(c4cc(=O)oc(c4C[C@@H]1[C@@H]23)CC)C)C.O
• 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: 7.1335 ± 0.0001 Å
• b: 8.3601 ± 0.0001 Å
• c: 26.2049 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.78 ± 0.04 ų
• Cell temperature: 99.9 ± 0.14 K
• Ambient diffraction temperature: 99.9 ± 0.14 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: 0.034
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No