Information card for entry 1546364

Structure parameters

• Formula: C20 H26 N2
• Calculated formula: C20 H26 N2
• SMILES: [nH]1c2ccccc2c2c1[C@H]1N(CC2)C[C@@H]([C@H](C1)CC=C)CC
• Title of publication: A Chiral Pentenolide-Based Unified Strategy toward Dihydrocorynantheal, Dihydrocorynantheol, Protoemetine, Protoemetinol, and Yohimbane.
• Authors of publication: Xie, Changmin; Luo, Jisheng; Zhang, Yan; Zhu, Lili; Hong, Ran
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3592 - 3595
• a: 20.168 ± 0.002 Å
• b: 20.168 ± 0.002 Å
• c: 11.2557 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3964.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No