Information card for entry 4115076

Structure parameters

• Formula: C14 H28 N2 O3
• Calculated formula: C14 H28 N2 O3
• Title of publication: β2,2-Aminoxy Acids: A New Building Block for Turns and Helices
• Authors of publication: Dan Yang; Yu-Hui Zhang; Nian-Yong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9966 - 9967
• a: 11.294 ± 0.002 Å
• b: 18.588 ± 0.004 Å
• c: 16.301 ± 0.003 Å
• α: 90°
• β: 91.2 ± 0.03°
• γ: 90°
• Cell volume: 3421.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0982
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No