Information card for entry 4025540

Structure parameters

• Formula: C22 H40 N4 O7
• Calculated formula: C22 H40 N4 O7
• SMILES: C(C)(C)CNC(=O)[C@@H](C(C)C)ONC(=O)C1(CC1)ONC(=O)[C@@H](C(C)C)ONC(=O)C(C)C
• 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: 9.2 ± 0.0019 Å
• b: 9.2 ± 0.003 Å
• c: 64.15 ± 0.02 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.02°
• Cell volume: 5430 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.4539
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2856
• Weighted residual factors for all reflections included in the refinement: 0.4376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No