Information card for entry 1543110

Structure parameters

• Common name: Conodusine C
• Formula: C20 H28 N2 O4
• Calculated formula: C20 H28 N2 O4
• SMILES: c12c(CCN3(C[C@@H]4C[C@@H](C(=O)C)[C@H]3[C@H]1C4)=O)c1ccccc1[nH]2.CO.O
• 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: 6.575 ± 0.0004 Å
• b: 14.273 ± 0.0008 Å
• c: 19.3071 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1811.87 ± 0.18 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: 0.0784
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No