Information card for entry 1542387

Structure parameters

• Formula: C10 H16 N4 O5
• Calculated formula: C10 H13 N4 O5
• SMILES: O=C1N(C)C(=O)C(=NNC(C)(CO)CO)C(=O)N1C
• Title of publication: Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.
• Authors of publication: Zheng, Jing; Qi, Jifeng; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 128 - 131
• a: 14.614 ± 0.003 Å
• b: 12.706 ± 0.003 Å
• c: 13.842 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2570.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2131
• Weighted residual factors for all reflections included in the refinement: 0.2419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No