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Information card for entry 8106039
Preview
| Coordinates | 8106039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate |
|---|---|
| Formula | C8 H17 N O3 |
| Calculated formula | C8 H17 N O3 |
| Title of publication | Crystal structure of (S)-tert-butyl-(1-hydroxypropan-2-yl)carbamate, C8H17NO3 |
| Authors of publication | Alapour, Saba; Zamisa, Sizwe J.; Koorbanally, Neil A.; Ramjugernath, Deresh |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 1 |
| Pages of publication | 49 - 50 |
| a | 10.4369 ± 0.0003 Å |
| b | 9.4976 ± 0.0002 Å |
| c | 10.8153 ± 0.0003 Å |
| α | 90° |
| β | 114.911 ± 0.001° |
| γ | 90° |
| Cell volume | 972.33 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.029 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279177 (current) | 2022-11-10 | cif/ Adding structures of 8106039 via cif-deposit CGI script. |
8106039.cif |
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Users of the data should acknowledge the original authors of the
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