Information card for entry 4123626

Structure parameters

• Formula: C20 H24 Cl2 N2 O3
• Calculated formula: C20 H24 Cl2 N2 O3
• SMILES: O=C1N2[C@]34N(c5c([C@@H]3[C@H]1O)cccc5)C(=O)CC[C@]4(CCC2)CC.C(Cl)Cl.O=C1N2[C@@]34N(c5c([C@H]3[C@@H]1O)cccc5)C(=O)CC[C@@]4(CCC2)CC.C(Cl)Cl
• 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: 10.0732 ± 0.0009 Å
• b: 7.4108 ± 0.0003 Å
• c: 25.386 ± 0.002 Å
• α: 90°
• β: 92.25 ± 0.007°
• γ: 90°
• Cell volume: 1893.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No