Information card for entry 4123631

Structure parameters

• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: O=C1[C@]23N(c4ccccc14)[C@@]1(O)CC[C@@]3(CCCN2C(=O)C1)CC.O=C1[C@@]23N(c4ccccc14)[C@]1(O)CC[C@]3(CCCN2C(=O)C1)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: 11.3917 ± 0.0002 Å
• b: 16.06981 ± 0.00017 Å
• c: 9.85692 ± 0.00017 Å
• α: 90°
• β: 117.86 ± 0.002°
• γ: 90°
• Cell volume: 1595.28 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No