Information card for entry 1513361

Structure parameters

• Formula: C19 H22 Cl2 N2 O3
• Calculated formula: C19 H22 N2 O3.33333
• SMILES: C1(=O)[C@@H](C[C@]2(CCCN3C(=O)C[C@H]4c5ccccc5N1[C@@]234)CC)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: 7.1721 ± 0.0004 Å
• b: 26.1619 ± 0.0013 Å
• c: 27.9882 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5251.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1478
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.2836
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No