Information card for entry 4105333

Structure parameters

• Common name: 6-KetoDipp-Ketene
• Formula: C37 H58 N3 Na O3 Si2
• Calculated formula: C37 H58 N3 Na O3 Si2
• SMILES: [Na]1([O]=C2N(C(N(C(=O)C2(C)C)c2c(cccc2C(C)C)C(C)C)=C=O)c2c(cccc2C(C)C)C(C)C)[N]([Si](C)(C)C)([Si](C)(C)C)[Na]([O]=C2N(C(N(C(=O)C2(C)C)c2c(cccc2C(C)C)C(C)C)=C=O)c2c(cccc2C(C)C)C(C)C)[N]1([Si](C)(C)C)[Si](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: 10.617 ± 0.002 Å
• b: 11.695 ± 0.002 Å
• c: 16.402 ± 0.003 Å
• α: 82.83 ± 0.03°
• β: 87.57 ± 0.03°
• γ: 79.23 ± 0.03°
• Cell volume: 1984.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2894
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No