Information card for entry 4128795

Structure parameters

• Formula: C39 H47 N3 O9
• Calculated formula: C39 H47 N3 O9
• Title of publication: Triarylaminium Radical Cation Promoted Coupling of Catharanthine with Vindoline: Diastereospecific Synthesis of Anhydrovinblastine and Reaction Scope.
• Authors of publication: Boon, Byron A.; Boger, Dale L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 36
• Pages of publication: 14349 - 14355
• a: 10.6544 ± 0.0001 Å
• b: 15.3909 ± 0.0002 Å
• c: 10.7835 ± 0.0001 Å
• α: 90°
• β: 96.457 ± 0.001°
• γ: 90°
• Cell volume: 1757.07 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No