Information card for entry 7101280

Structure parameters

• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: [C@H]1(C(C)(C)C)N([C@](CO1)(C)CCC#N)C(=O)c1ccccc1
• Title of publication: A general route to protected quaternary α-amino acids from β-amino alcohols via a stereocontrolled radical approach
• Authors of publication: Wood, Mark E.; Penny, Mark J.; Steere, Jenny S.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 2983 - 2985
• a: 7.6733 ± 0.0006 Å
• b: 13.63 ± 0.002 Å
• c: 15.8871 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1661.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0345
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No