Information card for entry 4105332

Structure parameters

• Common name: 6-KetoDipp-carbene
• Formula: C30 H40 N2 O2
• Calculated formula: C30 H40 N2 O2
• SMILES: O=C1N2C(N(C(=O)C1(C)C)c1c(cccc1C(C)C)C(C)C)C(c1c2c(ccc1)C(C)C)(C)C
• Title of publication: An N,N'-Diamidocarbene: Studies in C-H Insertion, Reversible Carbonylation, and Transition-Metal Coordination Chemistry
• Authors of publication: Todd W. Hudnall; Christopher W. Bielawski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16039 - 16041
• a: 15.726 ± 0.003 Å
• b: 9.803 ± 0.002 Å
• c: 17.111 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2637.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No