Information card for entry 7108424

Structure parameters

• Formula: C24 H21 N O2
• Calculated formula: C24 H21 N O2
• SMILES: O[C@H]1N(C=C([C@@H](C1)c1ccccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Enantioselective organocatalytic domino synthesis of tetrahydropyridin-2-ols
• Authors of publication: Jie-Ping Wan; Charles C. J. Loh; Fangfang Pan; Dieter Enders
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10049
• a: 9.6447 ± 0.0007 Å
• b: 10.8414 ± 0.0008 Å
• c: 18.1742 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.3 ± 0.2 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: 0.0504
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No