Information card for entry 4123629

Structure parameters

• Formula: C21 H24 Cl6 N2 O3
• Calculated formula: C21 H24 Cl6 N2 O3
• SMILES: O[C@]12[C@]34N(c5c1cccc5)C(=O)CC[C@@]4(CCCN3C(=O)C2)CC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.O[C@@]12[C@@]34N(c5c1cccc5)C(=O)CC[C@]4(CCCN3C(=O)C2)CC.C(Cl)(Cl)Cl.C(Cl)(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: 16.5205 ± 0.0019 Å
• b: 16.738 ± 0.003 Å
• c: 18.753 ± 0.003 Å
• α: 95.956 ± 0.012°
• β: 91.273 ± 0.01°
• γ: 103.102 ± 0.011°
• Cell volume: 5017.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2172
• Weighted residual factors for all reflections included in the refinement: 0.256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No