Information card for entry 1543450

Structure parameters

• Common name: Conoduzidine A
• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: c12c3CCN4CC[C@H]5[C@](CC(=O)n2c2c3cccc2)(CCO5)[C@@H]14
• Title of publication: Ibogan, Aspidosperman, Vincamine, and Bisindole Alkaloids from a Malayan Tabernaemontana corymbosa: Iboga Alkaloids with C-20α Substitution.
• Authors of publication: Nge, Choy-Eng; Chong, Kam-Weng; Thomas, Noel F.; Lim, Siew-Huah; Low, Yun-Yee; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 5
• Pages of publication: 1388 - 1399
• a: 11.7328 ± 0.0001 Å
• b: 13.0767 ± 0.0001 Å
• c: 19.2454 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2952.75 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No