Information card for entry 1513362

Structure parameters

• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: CC[C@@]12CCCN3[C@]42N([C@H](CC1)O)c1c(C4=CC3=O)cccc1
• 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: 11.4602 ± 0.0002 Å
• b: 11.4602 ± 0.0002 Å
• c: 10.0616 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1144.41 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.3662
• Weighted residual factors for all reflections included in the refinement: 0.3669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No