Information card for entry 2009133

Structure parameters

• Common name: Salannin
• Chemical name: Salannin
• Formula: C34 H44 O9
• Calculated formula: C34 H44 O9
• SMILES: O([C@H]1C[C@@H](OC(=O)C)[C@@]2([C@@H]3[C@@H](OC2)[C@H]2O[C@H]4[C@@H]([C@]2([C@@H]([C@@]13C)CC(=O)OC)C)[C@@H]([C@@H](C4)c1cocc1)C)C)C(=O)C(=C/C)/C
• Title of publication: Salannin and 3-deacetylsalannin
• Authors of publication: V. Kabaleeswaran; S. S. Rajan; Geetha Gopalakrishnan; T. R. Govindachari
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1952 - 1955
• a: 11.963 ± 0.002 Å
• b: 7.824 ± 0.002 Å
• c: 17.573 ± 0.002 Å
• α: 90 ± 0.02°
• β: 106.9 ± 0.02°
• γ: 90 ± 0.03°
• Cell volume: 1573.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.08
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes