Information card for entry 4123632

Structure parameters

• Formula: C20 H26 N2 O4
• Calculated formula: C20 H26 N2 O4
• SMILES: O=C1N2[C@@]34N(c5c([C@]4(O)C1)cccc5)C(=O)CC[C@]3(CCC2)CC.OC
• Title of publication: Total Syntheses of (-)-Mersicarpine, (-)-Scholarisine G, (+)-Melodinine E, (-)-Leuconoxine, (-)-Leuconolam, (-)-Leuconodine A, (+)-Leuconodine F, and (-)-Leuconodine C: Self-Induced Diastereomeric Anisochronism (SIDA) Phenomenon for Scholarisine G and Leuconodines A and C.
• Authors of publication: Xu, Zhengren; Wang, Qian; Zhu, Jieping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6712 - 6724
• a: 8.05042 ± 0.00013 Å
• b: 14.5426 ± 0.0002 Å
• c: 15.2311 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1783.17 ± 0.05 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0305
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No