Information card for entry 4123635

Structure parameters

• Formula: C19 H21 Cl N2 O2
• Calculated formula: C19 H21 Cl N2 O2
• SMILES: Cl[C@]12[C@]34N(c5c1cccc5)C(=O)CC[C@@]4(CCCN3C(=O)C2)CC.Cl[C@@]12[C@@]34N(c5c1cccc5)C(=O)CC[C@]4(CCCN3C(=O)C2)CC
• 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: 8.4071 ± 0.0005 Å
• b: 11.7277 ± 0.0006 Å
• c: 16.3593 ± 0.001 Å
• α: 90°
• β: 102.232 ± 0.006°
• γ: 90°
• Cell volume: 1576.34 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No