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Information card for entry 4025375
Preview
Coordinates | 4025375.cif |
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Original paper (by DOI) | HTML |
Common name | 6-KetoDipp-2,6-dimethylphenylisocyanide |
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Formula | C39 H49 N3 O2 |
Calculated formula | C39 H49 N3 O2 |
SMILES | C1(=C=Nc2c(cccc2C)C)N(C(=O)C(C)(C)C(=O)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | N,N'-Diamidoketenimines via Coupling of Isocyanides to an N-Heterocyclic Carbene |
Authors of publication | Todd W. Hudnall; Eric J. Moorhead; Dmitry G. Gusev; Christopher W. Bielawski |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 2763 - 2766 |
a | 20.054 ± 0.004 Å |
b | 17.777 ± 0.004 Å |
c | 9.5644 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3409.7 ± 1.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0654 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1692 |
Weighted residual factors for all reflections included in the refinement | 0.1748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.008 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4025375.html
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