Information card for entry 4115077

Structure parameters

• Formula: C21 H39 N3 O5
• Calculated formula: C21 H39 N3 O5
• SMILES: O=C(NC1CCCCC1)C(CONC(=O)C(CONC(=O)C(C)(C)C)(C)C)(C)C
• 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: 5.765 ± 0.0012 Å
• b: 19.431 ± 0.004 Å
• c: 10.821 ± 0.002 Å
• α: 90°
• β: 99.26 ± 0.03°
• γ: 90°
• Cell volume: 1196.4 ± 0.4 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No