Information card for entry 4036913

Structure parameters

• Formula: C22 H30 O6 S
• Calculated formula: C22 H30 O6 S
• SMILES: S(=O)(=O)([C@@]1(C(=O)C[C@@H](C[C@H]1CC(=O)C)C)C[C@H]1OC(OC1)(C)C)c1ccccc1
• Title of publication: Unified Synthesis of 10-Oxygenated Lycopodium Alkaloids: Impact of C10-Stereochemistry on Reactivity.
• Authors of publication: Saha, Mrinmoy; Li, Xin; Collett, Nathan D.; Carter, Rich G.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 14
• Pages of publication: 5963 - 5980
• a: 8.4382 ± 0.0013 Å
• b: 10.6416 ± 0.0017 Å
• c: 23.583 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2117.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No