Information card for entry 1512333

Structure parameters

• Common name: Tabertinggine
• Formula: C20 H23 Cl3 N2 O2
• Calculated formula: C20 H23 Cl3 N2 O2
• SMILES: C(Cl)(Cl)Cl.c12c(CCN3C[C@@H]4CC(=C[C@]13C4)C(=O)C)c1ccccc1[nH]2.O
• 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: 6.7462 ± 0.0002 Å
• b: 9.3007 ± 0.0003 Å
• c: 32.0517 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2011.06 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No