Information card for entry 4025539

Structure parameters

• Formula: C17 H31 N3 O5
• Calculated formula: C17 H31 N3 O5
• SMILES: N(CC(C)C)C(=O)C1(ONC(=O)[C@H](ONC(=O)C(C)C)C(C)C)CC1
• Title of publication: Chiral α-Aminoxy Acid/Achiral Cyclopropane α-Aminoxy Acid Unit as a Building Block for Constructing the α N-O Helix
• Authors of publication: Dan Yang; Xiao-Wei Chang; Dan-Wei Zhang; Ze-Feng Jiang; Ke-Sheng Song; Yu-Hui Zhang; Nian-Yong Zhu; Lin-Hong Weng; Min-Qin Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 4796 - 4805
• a: 8.869 ± 0.002 Å
• b: 12.673 ± 0.003 Å
• c: 18.561 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.2 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No