Information card for entry 4034960

Structure parameters

• Formula: C36 H56 O6
• Calculated formula: C36 H56 O6
• 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(=C\CC=C(C)C)C)C)C)C)C(=O)C
• Title of publication: Synthesis of Δ²⁰-Ginsenosides Rh₄, (20E)-Rh₃, Rg₆, and Rk₁: A General Approach To Access Dehydrated Ginsenosides.
• Authors of publication: Shen, Renzeng; Laval, Stephane; Cao, Xin; Yu, Biao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 5
• Pages of publication: 2601 - 2610
• a: 14.271 ± 0.006 Å
• b: 7.176 ± 0.003 Å
• c: 17.155 ± 0.007 Å
• α: 90°
• β: 103.984 ± 0.01°
• γ: 90°
• Cell volume: 1704.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No