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Information card for entry 4067684
Preview
| Coordinates | 4067684.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Al(N2_Ts_N_OMe)OCH2CH2NH2 . C7H8 |
|---|---|
| Formula | C30 H43 Al N4 O6 S2 |
| Calculated formula | C30 H43 Al N4 O6 S2 |
| SMILES | [Al]123([N](CCN1S(=O)(=O)c1ccc(cc1)C)(CCN2S(=O)(=O)c1ccc(cc1)C)CCOC)[NH2]CCO3.c1(ccccc1)C |
| Title of publication | Sulfonamide-Supported Aluminum Catalysts for the Ring-Opening Polymerization ofrac-Lactide |
| Authors of publication | Schwarz, Andrew D.; Chu, Zengyong; Mountford, Philip |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1246 |
| a | 8.2489 ± 0.0001 Å |
| b | 40.6884 ± 0.0006 Å |
| c | 10.2827 ± 0.0002 Å |
| α | 90° |
| β | 109.778 ± 0.0006° |
| γ | 90° |
| Cell volume | 3247.64 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1762 |
| Residual factor for significantly intense reflections | 0.074 |
| Weighted residual factors for all reflections | 0.1379 |
| Weighted residual factors for significantly intense reflections | 0.0682 |
| Weighted residual factors for all reflections included in the refinement | 0.0602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1804 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4067684.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067684.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067684.cif |
| 34263 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067677, 4067678, 4067679, 4067680, 4067681, 4067682, 4067683, 4067684, 4067685 via cif-deposit CGI script. |
4067684.cif |
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Users of the data should acknowledge the original authors of the
structural data.