Information card for entry 4518834

Structure parameters

• Common name: voacamine
• Formula: C43 H54 N4 O6
• Calculated formula: C43 H54 N4 O6
• Title of publication: Efficient Access to the Iboga Skeleton: Optimized Procedure to Obtain Voacangine from Voacanga africana Root Bark
• Authors of publication: González, Bruno; Fagúndez, Catherine; Peixoto de Abreu Lima, Alejandro; Suescun, Leopoldo; Sellanes, Diver; Seoane, Gustavo A.; Carrera, Ignacio
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 21.993 ± 0.003 Å
• b: 54.505 ± 0.006 Å
• c: 10.1583 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12177 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No