Information card for entry 7106863

Structure parameters

• Formula: C6 H11 N3 O3
• Calculated formula: C6 H11 N3 O3
• SMILES: CC(=O)NN(C(=O)C)CC(=O)N
• Title of publication: Acyl hydrazides as peptoid sub-monomers
• Authors of publication: Bani Kanta Sarma; Muhammed Yousufuddin; Thomas Kodadek
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10590
• a: 4.7784 ± 0.0018 Å
• b: 10.846 ± 0.004 Å
• c: 8.48 ± 0.003 Å
• α: 90°
• β: 97.832 ± 0.005°
• γ: 90°
• Cell volume: 435.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.069
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No