Information card for entry 1546363

Structure parameters

• Formula: C19 H22 N2
• Calculated formula: C19 H22 N2
• SMILES: [nH]1c2ccccc2c2CCN3[C@H](c12)C[C@H]1[C@H](C3)CC=CC1
• 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: 6.823 ± 0.0019 Å
• b: 7.936 ± 0.002 Å
• c: 14.34 ± 0.004 Å
• α: 90°
• β: 97.758 ± 0.007°
• γ: 90°
• Cell volume: 769.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No