Information card for entry 4037202

Structure parameters

• Formula: C10 H16 N4 O4
• Calculated formula: C10 H16 N4 O4
• SMILES: CO/N=C(C)/C1(C(=NN(C1=O)C)C)N(C(=O)C)O
• Title of publication: Development of N-Substituted Hydroxamic Acids with Pyrazolone Leaving Groups as Nitrosocarbonyl Precursors.
• Authors of publication: Nourian, Saghar; Zilber, Zachary A.; Toscano, John P.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9138 - 9146
• a: 9.49728 ± 0.00011 Å
• b: 21.3932 ± 0.0002 Å
• c: 6.35861 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1291.92 ± 0.03 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No