Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518476
Preview
| Coordinates | 1518476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H23 F6 O6 Pd Sb |
|---|---|
| Calculated formula | C14 H23 F6 O6 Pd Sb |
| SMILES | [Pd]12([CH2]=[CH]1C[C@H]1[C@@H]3[C@@H](C(=O)OC)[C@@H](C(=O)OC)[C@@H](C3)[C@@H]21)([OH2])[OH2].[Sb](F)(F)(F)(F)(F)[F-].[Pd]12([CH2]=[CH]1C[C@@H]1[C@H]3[C@H](C(=O)OC)[C@H](C(=O)OC)[C@H](C3)[C@H]21)([OH2])[OH2].[Sb](F)(F)(F)(F)(F)[F-] |
| 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 | 9.539 ± 0.002 Å |
| b | 10.408 ± 0.002 Å |
| c | 11.253 ± 0.003 Å |
| α | 115.767 ± 0.003° |
| β | 97.422 ± 0.003° |
| γ | 91.945 ± 0.003° |
| Cell volume | 992.6 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0934 |
| Residual factor for significantly intense reflections | 0.053 |
| Weighted residual factors for significantly intense reflections | 0.0716 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1518476.cif |
| 134905 | 2015-04-06 | cif/ Updating files of 1518476, 1518477, 1518478, 1518479, 1518480 Original log message: Adding full bibliography for 1518476--1518480.cif. |
1518476.cif |
| 129056 | 2014-12-25 | cif/ Adding structures of 1518476, 1518477, 1518478, 1518479, 1518480 via cif-deposit CGI script. |
1518476.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.