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Information card for entry 1546728
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| Coordinates | 1546728.cif |
|---|---|
| Structure factors | 1546728.hkl |
| Original IUCr paper | HTML |
| Common name | MeN(CH~2~CMe~2~OH)~2~ |
|---|---|
| Chemical name | 1-[(2-Hydroxy-2-methylpropyl)methylamino]-2-methylpropan-2-ol |
| Formula | C9 H21 N O2 |
| Calculated formula | C9 H21 N O2 |
| SMILES | OC(CN(C)CC(O)(C)C)(C)C |
| Title of publication | The amino alcohol MeN(CH~2~CMe~2~OH)~2~ |
| Authors of publication | Lutter, Michael; Gock, Vinusuya; Jurkschat, Klaus |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | x170799 |
| a | 14.152 ± 0.002 Å |
| b | 9.8983 ± 0.0016 Å |
| c | 15.9939 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2240.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1212 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0413 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199324 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546728 via cif-deposit CGI script. |
1546728.cif 1546728.hkl |
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Users of the data should acknowledge the original authors of the
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