Information card for entry 7112485

Structure parameters

• Common name: 5tBuDAC
• Formula: C11 H18 N2 O2
• Calculated formula: C11 H18 N2 O2
• SMILES: O=C1N([C]N(C(C)(C)C)C1=O)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: 13.331 ± 0.0012 Å
• b: 5.9383 ± 0.0005 Å
• c: 15.6507 ± 0.0014 Å
• α: 90°
• β: 105.521 ± 0.003°
• γ: 90°
• Cell volume: 1193.78 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1211
• 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