Information card for entry 4107696

Structure parameters

• Formula: C22 H28 N2 O6
• Calculated formula: C22 H28 N2 O6
• SMILES: O1[C@H]2[C@@H]1CC[C@]13N(CC[C@@]23c2c(N1C(=O)OC)ccc(OC)c2)C(=O)OC(C)(C)C.O1[C@@H]2[C@H]1CC[C@@]13N(CC[C@]23c2c(N1C(=O)OC)ccc(OC)c2)C(=O)OC(C)(C)C
• 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: 8.4376 ± 0.0003 Å
• b: 11.0277 ± 0.0004 Å
• c: 12.2187 ± 0.0004 Å
• α: 67.767 ± 0.001°
• β: 87.205 ± 0.001°
• γ: 75.778 ± 0.001°
• Cell volume: 1018.9 ± 0.06 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No