Information card for entry 4119171

Structure parameters

• Formula: C17 H25 N O5
• Calculated formula: C17 H25 N O5
• SMILES: [C@H]12CC(=O)[C@@H]3C[C@H]1[C@](CN3C(=O)OC(C)(C)C)(CC)C(=O)OC2
• 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: 6.2434 ± 0.0009 Å
• b: 11.4384 ± 0.0019 Å
• c: 23.962 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711.2 ± 0.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 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: 0.0507
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No