Information card for entry 1514538

Structure parameters

• Formula: C34.5 H57 Cl O5
• Calculated formula: C34.5 H57 Cl O5
• SMILES: CC(=CCC[C@@]([C@H]1CC[C@@]2([C@@H]1[C@H](OC(=O)C)C[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)OC(=O)C)C)(O)C)C.ClCCl
• 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: 11.2356 ± 0.0002 Å
• b: 11.9742 ± 0.0003 Å
• c: 24.8296 ± 0.0006 Å
• α: 90°
• β: 93.447 ± 0.001°
• γ: 90°
• Cell volume: 3334.46 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No