Information card for entry 1514536

Structure parameters

• Formula: C38 H62 O9
• Calculated formula: C38 H62 O9
• SMILES: O([C@H]1CC[C@]2([C@H](C1(C)C)[C@@H](OC(=O)C)C[C@@]1([C@@H]2C[C@@H](OC(=O)C)[C@H]2[C@]1(CC[C@@H]2[C@](O)(C)CCC=C(C)C)C)C)C)C(=O)C.OC(=O)C
• Title of publication: Synthetic access toward the diverse ginsenosides
• Authors of publication: Yu, Jun; Sun, Jiansong; Niu, Yiming; Li, Rongyao; Liao, Jinxi; Zhang, Fuyi; Yu, Biao
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3899
• a: 8.7254 ± 0.0017 Å
• b: 9.5176 ± 0.0019 Å
• c: 12.415 ± 0.003 Å
• α: 89.65 ± 0.03°
• β: 80.46 ± 0.03°
• γ: 70.65 ± 0.03°
• Cell volume: 958 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No