Information card for entry 1512024

Structure parameters

• Common name: Leuconodine A
• Formula: C21 H28 N2 O4
• Calculated formula: C21 H28 N2 O4
• SMILES: c12[C@@H]3[C@H](C(=O)N4[C@@]53N(c2cccc1)C(=O)CC[C@@]5(CC)CCC4)O.C(C)O
• Title of publication: Rhazinilam-Leuconolam-Leuconoxine Alkaloids from Leuconotis griffithii.
• Authors of publication: Gan, Chew-Yan; Low, Yun-Yee; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 957 - 964
• a: 7.3486 ± 0.0004 Å
• b: 15.0738 ± 0.0007 Å
• c: 16.674 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847 ± 0.16 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: 0.1133
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No