Information card for entry 7152220

Structure parameters

• Formula: C16 H29 N3 O8
• Calculated formula: C16 H29 N3 O8
• SMILES: O=N(=O)C(N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)(C(=O)OC(C)C)C
• Title of publication: Direct amination of α-substituted nitroacetates using di-tert-butyl azodicarboxylate catalyzed by Hatakeyama's catalyst β-ICD.
• Authors of publication: Ji, Cong-Bin; Liu, Yun-Lin; Zhao, Xiao-Li; Guo, Yin-Long; Wang, Hao-Yang; Zhou, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 1158 - 1161
• a: 9.2865 ± 0.0005 Å
• b: 10.1783 ± 0.0005 Å
• c: 12.8619 ± 0.0007 Å
• α: 86.696 ± 0.002°
• β: 80.581 ± 0.002°
• γ: 63.553 ± 0.002°
• Cell volume: 1073.65 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No