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Information card for entry 4105332
Preview
| Coordinates | 4105332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4105332.cif |
| 178799 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/53. |
4105332.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105332.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105332.cif |
| 30527 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105332 via cif-deposit CGI script. |
4105332.cif |
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Users of the data should acknowledge the original authors of the
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