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Information card for entry 4105333
Preview
| Coordinates | 4105333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178799 (current) | 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. |
4105333.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4105333.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4105333.cif |
| 30528 | 2011-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4105333 via cif-deposit CGI script. |
4105333.cif |
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