Information card for entry 4115105

Structure parameters

• Formula: C16 H23 N O2
• Calculated formula: C16 H23 N O2
• Title of publication: Kinetic Resolution of Atropisomeric Amides
• Authors of publication: Ramon Rios; Ciril Jimeno; Patrick J. Carroll; Patrick J. Walsh
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10272 - 10273
• a: 7.4939 ± 0.0004 Å
• b: 13.3721 ± 0.0012 Å
• c: 15.766 ± 0.0009 Å
• α: 90°
• β: 103.781 ± 0.005°
• γ: 90°
• Cell volume: 1534.42 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0989
• Residual factor for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections: 0.2134
• Weighted residual factors for significantly intense reflections: 0.207
• Goodness-of-fit parameter for all reflections: 1.198
• Goodness-of-fit parameter for significantly intense reflections: 1.238
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No