Information card for entry 4119173

Structure parameters

• Formula: C41 H46 N2 O2 Si
• Calculated formula: C41 H46 N2 O2 Si
• SMILES: c12c([C@@H]3C[C@H]([C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@](CN3Cc1ccccc1)(C=O)CC)[nH]c1ccccc21
• Title of publication: Access to the Akuammiline Family of Alkaloids: Total Synthesis of (+)-Scholarisine A
• Authors of publication: Gregory L. Adams; Patrick J. Carroll; Amos B. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 519 - 528
• a: 10.059 ± 0.0005 Å
• b: 16.5697 ± 0.0008 Å
• c: 20.9187 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3486.6 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0332
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No