Information card for entry 1548456

Structure parameters

• Formula: C20 H23 N O2
• Calculated formula: C20 H23 N O2
• SMILES: O(C(C)(C)C)C(=O)[C@@]1(Nc2ccccc2CC1)c1ccccc1
• Title of publication: Synthesis and kinetic resolution of substituted tetrahydroquinolines by lithiation then electrophilic quench.
• Authors of publication: Carter, Nicholas; Li, Xiabing; Reavey, Lewis; Meijer, Anthony J. H. M.; Coldham, Iain
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 1352 - 1357
• a: 6.1094 ± 0.0003 Å
• b: 14.2823 ± 0.0006 Å
• c: 19.8409 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1731.24 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No