Information card for entry 4034540

Structure parameters

• Formula: C20 H35 N O3 Si
• Calculated formula: C20 H35 N O3 Si
• SMILES: C[C@@H]1CN2C(=O)CC(=O)[C@]3([C@@H]2[C@@H]1CC3)CCCO[Si](C)(C)C(C)(C)C
• Title of publication: Calyciphylline B-type Alkaloids: Evolution of a Synthetic Strategy to (-)-Daphlongamine H.
• Authors of publication: Hugelshofer, Cedric L.; Palani, Vignesh; Sarpong, Richmond
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 21
• Pages of publication: 14069 - 14091
• a: 6.2765 ± 0.0001 Å
• b: 11.7617 ± 0.0002 Å
• c: 28.306 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.61 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No