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Information card for entry 1518478
Preview
| Coordinates | 1518478.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H35 F6 O6 Pd Sb |
|---|---|
| Calculated formula | C22 H35 F6 O6 Pd Sb |
| SMILES | [Sb](F)(F)(F)([F-])(F)F.[Pd]12([O]3CCCC3)([O]3CCCC3)[CH2]=[CH]1C[C@@H]1[C@H]3[C@H]([C@H]([C@@H]([C@H]21)C3)C(=O)OC)C(=O)OC.[Sb](F)(F)(F)([F-])(F)F.[Pd]12([O]3CCCC3)([O]3CCCC3)[CH2]=[CH]1C[C@H]1[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]21)C3)C(=O)OC)C(=O)OC |
| Title of publication | Bypassing the lack of reactivity of endo-substituted norbornenes with the catalytic rectification–insertion mechanism |
| Authors of publication | Commarieu, Basile; Claverie, Jerome P. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 2172 |
| a | 16.758 ± 0.003 Å |
| b | 16.947 ± 0.004 Å |
| c | 9.5046 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2699.3 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518478.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518478.cif |
| 134905 | 2015-04-06 | cif/ Updating files of 1518476, 1518477, 1518478, 1518479, 1518480 Original log message: Adding full bibliography for 1518476--1518480.cif. |
1518478.cif |
| 129056 | 2014-12-25 | cif/ Adding structures of 1518476, 1518477, 1518478, 1518479, 1518480 via cif-deposit CGI script. |
1518478.cif |
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