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Information card for entry 2234489
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| Coordinates | 2234489.cif |
|---|---|
| Structure factors | 2234489.hkl |
| Original IUCr paper | HTML |
| Chemical name | (3-{[2,6-Bis(1-methylethyl)phenyl]imino-<i>κN</i>}-1-phenylbut-1-en-1-olato- <i>κO</i>](dimethyl)aluminium |
|---|---|
| Formula | C24 H32 Al N O |
| Calculated formula | C24 H32 Al N O |
| SMILES | [Al]1(OC(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)c1ccccc1)(C)C |
| Title of publication | (3-{[2,6-Bis(1-methylethyl)phenyl]imino-κ<i>N</i>}-1-phenylbut-1-en-1-olato-κ<i>O</i>)dimethylaluminium |
| Authors of publication | Hao, Haijun; Zhu, Baichun; Yi, Jianjun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m351 - m352 |
| a | 15.231 ± 0.004 Å |
| b | 9.994 ± 0.003 Å |
| c | 15.289 ± 0.004 Å |
| α | 90° |
| β | 102.889 ± 0.005° |
| γ | 90° |
| Cell volume | 2268.6 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1505 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1136 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181266 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/44. |
2234489.cif 2234489.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234489.cif 2234489.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234489.cif 2234489.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234489.cif 2234489.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234489.cif 2234489.hkl |
| 55767 | 2012-05-05 | cif/ Adding structures of 2234489 via cif-deposit CGI script. |
2234489.cif |
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Users of the data should acknowledge the original authors of the
structural data.