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Information card for entry 4072187
Preview
| Coordinates | 4072187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H27 Al F12 N2 O3 |
|---|---|
| Calculated formula | C21 H27 Al F12 N2 O3 |
| SMILES | C1(C(F)(F)F)(O[Al]23(OC(C(F)(F)F)(CC(=[N]2[C@@H]2CCCC[C@H]2[N]3=C(C1)C)C)C(F)(F)F)OC(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 | 10.5749 ± 0.0013 Å |
| b | 15.88 ± 0.002 Å |
| c | 16.688 ± 0.002 Å |
| α | 70.161 ± 0.007° |
| β | 79.861 ± 0.007° |
| γ | 85.599 ± 0.007° |
| Cell volume | 2594.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.1877 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| 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 |
|---|---|---|---|
| 178610 (current) | 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. |
4072187.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072187.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072187.cif |
| 44280 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072187 via cif-deposit CGI script. |
4072187.cif |
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