Information card for entry 7204450

Structure parameters

• Formula: C22 H20 N O
• Calculated formula: C22 H21 N O
• SMILES: c1cccc2ccc3c(c12)[C@H](c1ccccc1)N1CCCC[C@H]1O3
• Title of publication: Novel preparation of non-racemic 1-[??-(1-azacycloalkyl)benzyl]-2-naphthols from Betti base and their application as chiral ligands in the asymmetric addition of diethylzinc to aryl aldehydes
• Authors of publication: Lu, Jun; Xu, Xuenong; Wang, Shaozhong; Wang, Cunde; Hu, Yuefei; Hu, Hongwen
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 2900
• a: 9.813 ± 0.004 Å
• b: 10.354 ± 0.003 Å
• c: 16.491 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1675.5 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No