Information card for entry 1513360

Structure parameters

• Formula: C38 H48 N4 O9
• Calculated formula: C19 H24 N2 O4.5
• SMILES: C1(=O)[C@H]2[C@@]3(CC(=O)N4CCC[C@@](C2)(CC)[C@]34O)c2ccccc2N1.O.O
• Title of publication: Transformations of the 2,7-Seco Aspidosperma Alkaloid Leuconolam, Structure Revision of epi-Leuconolam, and Partial Syntheses of Leuconoxine and Leuconodines A and F.
• Authors of publication: Low, Yun-Yee; Hong, Fong-Jiao; Lim, Kuan-Hon; Thomas, Noel F.; Kam, Toh-Seok
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 327 - 338
• a: 10.1848 ± 0.0002 Å
• b: 10.362 ± 0.0002 Å
• c: 10.3848 ± 0.0002 Å
• α: 71.742 ± 0.001°
• β: 67.38 ± 0.001°
• γ: 60.647 ± 0.001°
• Cell volume: 871.11 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 2.562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No