Information card for entry 4026473

Structure parameters

• Formula: C18 H20 N2 O
• Calculated formula: C18 H20 N2 O
• SMILES: O(c1ccc([C@@H](N[C@H](C#N)c2ccc(cc2)C)C)cc1)C
• Title of publication: Asymmetric Strecker Synthesis of α-Arylglycines
• Authors of publication: Yolanda Pérez-Fuertes; James E. Taylor; David A. Tickell; Mary F. Mahon; Steven D. Bull; Tony D. James
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 6038 - 6047
• a: 6.588 ± 0.0001 Å
• b: 13.13 ± 0.0003 Å
• c: 18.398 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1591.44 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No