Information card for entry 4123627

Structure parameters

• Formula: C19 H22 N2 O2
• Calculated formula: C19 H22 N2 O2
• SMILES: O=C1N2[C@]34N(C(=O)CC[C@]4(CCC2)CC)c2ccccc2[C@@H]3C1
• 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: 9.782 ± 0.0003 Å
• b: 7.49799 ± 0.00019 Å
• c: 11.2172 ± 0.0003 Å
• α: 90°
• β: 107.875 ± 0.003°
• γ: 90°
• Cell volume: 783.01 ± 0.04 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No