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Information card for entry 1501793
Preview
| Coordinates | 1501793.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H44 F6 O6 P2 Pd S2 |
|---|---|
| Calculated formula | C26 H44 F6 O6 P2 Pd S2 |
| SMILES | CC(C)(C)[P]1(C(C)(C)C)Cc2ccccc2C[P](C(C)(C)C)(C(C)(C)C)[Pd]21OS(C(F)(F)F)(=[O]2)=O.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Long-Chain Linear C19and C23Monomers and Polycondensates from Unsaturated Fatty Acid Esters |
| Authors of publication | Stempfle, Florian; Quinzler, Dorothee; Heckler, Ilona; Mecking, Stefan |
| Journal of publication | Macromolecules |
| Year of publication | 2011 |
| Journal volume | 44 |
| Journal issue | 11 |
| Pages of publication | 4159 |
| a | 9.1472 ± 0.0003 Å |
| b | 11.3899 ± 0.0005 Å |
| c | 32.6773 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3404.5 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.029 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1501793.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. |
1501793.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501793.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501793.cif |
| 35145 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501793 via cif-deposit CGI script. |
1501793.cif |
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