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Information card for entry 4072183
Preview
| Coordinates | 4072183.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H32 F12 N2 O2 |
|---|---|
| Calculated formula | C22 H32 F12 N2 O2 |
| SMILES | C(C(C(F)(F)F)(O)C(C(=N\CC/N=C(/C(C(C(F)(F)F)(C(F)(F)F)O)(C)C)C(C)C)\C(C)C)(C)C)(F)(F)F |
| Title of publication | Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters |
| Authors of publication | Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5815 |
| a | 7.3782 ± 0.0016 Å |
| b | 22.163 ± 0.005 Å |
| c | 7.7542 ± 0.0014 Å |
| α | 90° |
| β | 91.228 ± 0.007° |
| γ | 90° |
| Cell volume | 1267.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0727 |
| Residual factor for significantly intense reflections | 0.0603 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.189 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4072183.cif |
| 178610 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21. |
4072183.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072183.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072183.cif |
| 44276 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072183 via cif-deposit CGI script. |
4072183.cif |
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