Information card for entry 1543111

Structure parameters

• Common name: Conodusine A
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: c12c(CCN3C[C@@H]4C[C@H](C(=O)C)[C@H]3[C@H]1C4)c1ccccc1[nH]2
• 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: 10.1845 ± 0.0018 Å
• b: 10.1845 ± 0.0018 Å
• c: 14.613 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1515.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No