Information card for entry 1514535

Structure parameters

• Formula: C37 H60 O6
• Calculated formula: C37 H59.6 O6
• SMILES: C=CCO[C@@H]1C[C@@H]2[C@@]3(C)CC[C@@H](C([C@@H]3[C@H](C[C@]2([C@]2([C@H]1[C@H](CC2)[C@](CCC=C(C)C)(O)C)C)C)OC(=O)C)(C)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: 10.4149 ± 0.0008 Å
• b: 13.7246 ± 0.0011 Å
• c: 24.603 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3516.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No