Information card for entry 4107699

Structure parameters

• Formula: C20 H24 N2 O3
• Calculated formula: C20 H24 N2 O3
• SMILES: O[C@@H]1[C@@]23[C@]4(N(c5c3cccc5)C(=O)OC)N(CC2)C/C(=C/C)[C@@H](C4)C1
• Title of publication: Total Synthesis of the Strychnos Alkaloid (+)-Minfiensine: Tandem Enantioselective Intramolecular Heck-Iminium Ion Cyclization
• Authors of publication: Amy B. Dounay; Philip G. Humphreys; Larry E. Overman; Aaron D. Wrobleski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5368 - 5377
• a: 7.0806 ± 0.0007 Å
• b: 12.8663 ± 0.0013 Å
• c: 18.7817 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1711 ± 0.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No