Information card for entry 1513366

Structure parameters

• Formula: C39 H46 Cl2 N4 O6
• Calculated formula: C39 H46 Cl2 N4 O6
• SMILES: C(Cl)Cl.C1(=O)CC[C@]2(CCCN3C(=O)C=C(c4ccccc4N)[C@]23O1)CC
• 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: 8.0086 ± 0.0001 Å
• b: 14.9302 ± 0.0003 Å
• c: 15.3044 ± 0.0003 Å
• α: 90°
• β: 94.648 ± 0.001°
• γ: 90°
• Cell volume: 1823.93 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No