Information card for entry 1514537

Structure parameters

• Formula: C41 H71 Cl O5 Si
• Calculated formula: C41 H71 Cl O5 Si
• SMILES: ClCC(=O)O[C@@H]1[C@H]2C([C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]2([C@@H]2[C@@](C1)([C@]1([C@H]([C@H](OCC=C)C2)[C@H](CC1)[C@](O)(C)CCC=C(C)C)C)C)C)(C)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: 9.3808 ± 0.0007 Å
• b: 13.5353 ± 0.0011 Å
• c: 32.994 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4189.3 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No