Information card for entry 1512332

Structure parameters

• Common name: Voatinggine
• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: O[C@]12c3c(N[C@@]42N(CC1)C[C@H]1C[C@@H]4C=C(C1)C(=O)C)cccc3
• Title of publication: Voatinggine and Tabertinggine, Pentacyclic Indole Alkaloids Derived from an Iboga Precursor via a Common Cleavamine-Type Intermediate
• Authors of publication: Nge, Choy-Eng; Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 18
• Pages of publication: 4774
• a: 9.6564 ± 0.0003 Å
• b: 8.3932 ± 0.0002 Å
• c: 9.8414 ± 0.0003 Å
• α: 90°
• β: 102.188 ± 0.003°
• γ: 90°
• Cell volume: 779.65 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0376
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No