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Information card for entry 7016687
Preview
| Coordinates | 7016687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H34 N2 O |
|---|---|
| Calculated formula | C28 H34 N2 O |
| SMILES | Oc1c(cc(cc1/C=N/c1c2c(N3[C@@H](CC[C@H]3C)C)cccc2ccc1)C)C(C)(C)C |
| Title of publication | Development of homogeneous and heterogenized rhodium(i) and palladium(ii) complexes with ligands based on a chiral proton sponge building block and their application as catalysts. |
| Authors of publication | Villaverde, Gonzalo; Arnanz, Avelina; Iglesias, Marta; Monge, Angeles; Sánchez, Félix; Snejko, Natalia |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 37 |
| Pages of publication | 9589 - 9600 |
| a | 9.8047 ± 0.0008 Å |
| b | 8.8134 ± 0.0008 Å |
| c | 14.007 ± 0.0012 Å |
| α | 90° |
| β | 91.363 ± 0.001° |
| γ | 90° |
| Cell volume | 1210.04 ± 0.18 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0636 |
| Weighted residual factors for significantly intense reflections | 0.1125 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7016687.cif |
| 179870 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/66. |
7016687.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016687.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016687.cif |
| 28049 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016686, 7016687 via cif-deposit CGI script. |
7016687.cif |
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Users of the data should acknowledge the original authors of the
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