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Information card for entry 2312523
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| Coordinates | 2312523.cif |
|---|---|
| Structure factors | 2312523.hkl |
| Original IUCr paper | HTML |
| Common name | (±)-Pinenyllithium tetramethylethylenediamine |
|---|---|
| Chemical name | (Tetramethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')(η^3^-2,6,6-\ trimethylbicyclo[3.1.1]heptyl)lithium |
| Formula | C16 H31 Li N2 |
| Calculated formula | C16 H31 Li N2 |
| Title of publication | Preferential crystallization of (±)-pinenyllithium·TMEDA. |
| Authors of publication | Erickson, Alexander N.; Haltiwanger, Curtis; Rahim, Masoumeh; Garner, Charles M. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 7 |
| Pages of publication | 297 - 301 |
| a | 6.316 ± 0.0002 Å |
| b | 9.6925 ± 0.0002 Å |
| c | 13.7463 ± 0.0002 Å |
| α | 97.336 ± 0.001° |
| β | 99.662 ± 0.002° |
| γ | 93.52 ± 0.002° |
| Cell volume | 819.83 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1062 |
| Weighted residual factors for all reflections included in the refinement | 0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293981 (current) | 2024-08-07 | cif/ Updating files of 2312523 Original log message: Adding full bibliography for 2312523.cif. |
2312523.cif 2312523.hkl |
| 292497 | 2024-06-21 | cif/ hkl/ Adding structures of 2312523 via cif-deposit CGI script. |
2312523.cif 2312523.hkl |
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Users of the data should acknowledge the original authors of the
structural data.