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Information card for entry 4084515
Preview
| Coordinates | 4084515.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H183 Al2 Li2 O3 |
|---|---|
| Calculated formula | C108 H183 Al2 Li2 O3 |
| SMILES | [AlH]1([H][Li]([H]1)[O](CC)CC)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.[AlH]1([H][Li]([H]1)([O](CC)CC)[O](CC)CC)c1c(c(cc(c1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C.CCCCCC.CCCCCC |
| Title of publication | Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides under Mild Conditions |
| Authors of publication | Fettinger, James C.; Gray, Paul A.; Melton, Christopher E.; Power, Philip P. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6232 |
| a | 16.37 ± 0.003 Å |
| b | 18.73 ± 0.003 Å |
| c | 19.489 ± 0.003 Å |
| α | 110.509 ± 0.002° |
| β | 95.876 ± 0.002° |
| γ | 105.039 ± 0.002° |
| Cell volume | 5280.2 ± 1.5 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1524 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178734 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45. |
4084515.cif |
| 127196 | 2014-11-12 | cif/ Updating files of 4084515, 4084516, 4084517, 4084518, 4084519, 4084520, 4084521 Original log message: Adding full bibliography for 4084515--4084521.cif. |
4084515.cif |
| 125473 | 2014-10-16 | cif/ Adding structures of 4084515, 4084516, 4084517, 4084518, 4084519, 4084520, 4084521 via cif-deposit CGI script. |
4084515.cif |
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Users of the data should acknowledge the original authors of the
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