Information card for entry 1501904

Structure parameters

• Formula: C28 H38 O10
• Calculated formula: C28 H38 O10
• SMILES: O1[C@]2(O[C@H]3C[C@@H](C1(C)C)[C@]2(O)C[C@]12O[C@]4(O[C@H]5[C@H](OC(=O)[C@H]5C)[C@@H]5[C@H]4[C@](CC2)(C(=O)[C@H]5C)C)C(=O)[C@H]31)C.O
• Title of publication: Schinarisanlactone A, a new bisnortriterpenoid from Schisandra arisanensis.
• Authors of publication: Lin, Yu-Chi; Lo, I-Wen; Chen, Shun-Ying; Lin, Pi-Han; Chien, Ching-Te; Chang, Sui-yuan; Shen, Ya-Ching
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 446 - 449
• a: 10.3366 ± 0.0001 Å
• b: 10.93 ± 0.0001 Å
• c: 23.5701 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2662.93 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No