Information card for entry 7112486

Structure parameters

• Common name: 5DACNH3
• Formula: C11 H21 N3 O2
• Calculated formula: C11 H21 N3 O2
• SMILES: O=C1N(C(N(C1=O)C(C)(C)C)N)C(C)(C)C
• Title of publication: Reductive generation of stable, five-membered N,N'-diamidocarbenes
• Authors of publication: Jonathan P. Moerdyk; Christopher W. Bielawski
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4551
• a: 9.102 ± 0.003 Å
• b: 12.188 ± 0.004 Å
• c: 23.505 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2607.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No