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Information card for entry 8106217
Preview
| Coordinates | 8106217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | methyl1-phenylethylcarbamate |
|---|---|
| Formula | C10 H13 N O2 |
| Calculated formula | C10 H13 N O2 |
| SMILES | O(C)C(=O)N[C@@H](C)c1ccccc1 |
| Title of publication | Crystal structure of methyl (1-phenylethyl)carbamate, C10H13NO2 |
| Authors of publication | Thakar, Amit S.; Pansuriya, Pramod B.; Friedrich, Holger B.; Maguire, Glenn E. M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 561 - 563 |
| a | 9.9882 ± 0.0007 Å |
| b | 8.5202 ± 0.0006 Å |
| c | 23.1403 ± 0.0018 Å |
| α | 90° |
| β | 91.01 ± 0.002° |
| γ | 90° |
| Cell volume | 1969 ± 0.2 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279498 (current) | 2022-11-23 | cif/ Adding structures of 8106217 via cif-deposit CGI script. |
8106217.cif |
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Users of the data should acknowledge the original authors of the
structural data.