Information card for entry 1513359

Structure parameters

• Common name: 2-deoxyleuconoxine
• Formula: C19 H22 N2 O
• Calculated formula: C19 H22 N2 O
• SMILES: C1CC[C@]2(CCCN3C(=O)C=C4c5ccccc5N1[C@@]234)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: 11.2107 ± 0.0006 Å
• b: 11.5443 ± 0.0006 Å
• c: 12.1199 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1568.55 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No