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Information card for entry 4510835
Preview
| Coordinates | 4510835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C11 H18 N O2 Rh |
|---|---|
| Calculated formula | C11 H18 N O2 Rh |
| SMILES | [Rh]1234(OC(=O)[C@H]5[NH]1CCC5)[CH2]=[CH]2CC[CH]3=[CH2]4 |
| Title of publication | Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer |
| Authors of publication | Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas |
| Journal of publication | ACS Catalysis |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 2 |
| Pages of publication | 246 |
| a | 10.3322 ± 0.0004 Å |
| b | 10.5059 ± 0.0005 Å |
| c | 10.5715 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1147.53 ± 0.09 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.03 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for all reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.0442 |
| Weighted residual factors for all reflections included in the refinement | 0.0454 |
| Goodness-of-fit parameter for all reflections | 1.082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4510835.cif |
| 179655 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08. |
4510835.cif |
| 113552 | 2014-05-13 | cif/ Adding structures of 4510835 via cif-deposit CGI script. |
4510835.cif |
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Users of the data should acknowledge the original authors of the
structural data.