Information card for entry 4133334

Structure parameters

• Formula: C26 H43 N O3 Si
• Calculated formula: C26 H43 N O3 Si
• SMILES: [Si](O[C@@]12C[C@H]3[C@]4(C[C@@]1(C[C@@H]34)CC(=O)[C@@H]1[C@@]2(C)CCC[C@]1(C(=O)N)C)C)(CC)(CC)CC
• Title of publication: Total Synthesis of (-)-Mitrephorone A.
• Authors of publication: Richter, Matthieu J. R.; Schneider, Michael; Brandstätter, Marco; Krautwald, Simon; Carreira, Erick M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 48
• Pages of publication: 16704 - 16710
• a: 7.75079 ± 0.00004 Å
• b: 17.50986 ± 0.00009 Å
• c: 18.79506 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2550.78 ± 0.02 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0274
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No