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Information card for entry 2241114
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| Coordinates | 2241114.cif |
|---|---|
| Structure factors | 2241114.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {[(Dimethylamino)methyl]dimethylamine}trihydridoboron |
|---|---|
| Formula | C5 H17 B N2 |
| Calculated formula | C5 H17 B N2 |
| SMILES | [N](CN(C)C)(C)(C)[BH3] |
| Title of publication | Crystal structure of borated <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethyldiaminomethane |
| Authors of publication | Louven, Kathrin; Quentin, Georgina; Strohmann, Carsten |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 10 |
| Pages of publication | o743 - o744 |
| a | 6.0464 ± 0.0008 Å |
| b | 7.6987 ± 0.0009 Å |
| c | 9.5896 ± 0.0011 Å |
| α | 69.602 ± 0.01° |
| β | 76.519 ± 0.011° |
| γ | 74.912 ± 0.01° |
| Cell volume | 398.94 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0769 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241114.cif 2241114.hkl |
| 181912 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241114.cif 2241114.hkl |
| 158367 | 2015-09-26 | cif/ hkl/ Adding structures of 2241114 via cif-deposit CGI script. |
2241114.cif 2241114.hkl |
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Users of the data should acknowledge the original authors of the
structural data.