Information card for entry 2013479

Structure parameters

• Common name: Samaderine-B
• Formula: C19 H22 O7
• Calculated formula: C19 H22 O7
• SMILES: O[C@@H]1C(=O)C=C([C@@H]2CC(=O)[C@]34[C@@H]([C@@]12C)[C@@H](O)[C@@H]1OC(=O)[C@H]3[C@@]1(OC4)C)C
• Title of publication: Samaderin B and C from <i>Samadera indica</i>
• Authors of publication: Malathi, R; Rajan, S. S.; Suresh, G; Krishnakumari, G.N; Geetha Gopalakrishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: o416 - o418
• a: 10.342 ± 0.004 Å
• b: 13.328 ± 0.007 Å
• c: 11.956 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1648 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.112
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes