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Information card for entry 8106607
Preview
| Coordinates | 8106607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H15 N O3 S |
|---|---|
| Calculated formula | C11 H15 N O3 S |
| SMILES | c1(ccccc1)S(NC(=O)OC(C)(C)C)=O |
| Title of publication | Crystal structure of tert-butyl (phenylsulfinyl)carbamate, C11H15NO3S |
| Authors of publication | Makam, Parameshwar; Samipillai, Marivel; Kruger, Hendrick G.; Govender, Thavendran; Naicker, Tricia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 577 - 578 |
| a | 9.5337 ± 0.001 Å |
| b | 10.7168 ± 0.0011 Å |
| c | 11.5675 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1181.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0254 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280648 (current) | 2023-01-28 | cif/ Adding structures of 8106607 via cif-deposit CGI script. |
8106607.cif |
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Users of the data should acknowledge the original authors of the
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