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Information card for entry 8104673
Preview
| Coordinates | 8104673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | di-<i>tert</i>-butyl dicarbonate |
|---|---|
| Chemical name | di-<i>tert</i>-butyl dicarbonate |
| Formula | C10 H18 O5 |
| Calculated formula | C10 H18 O5 |
| Title of publication | The crystal structure of di-tert-butyl dicarbonate, C10H18O5 |
| Authors of publication | Manana, Pholani; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1087 - 1089 |
| a | 11.3561 ± 0.0007 Å |
| b | 11.4569 ± 0.0007 Å |
| c | 10.9762 ± 0.0006 Å |
| α | 90° |
| β | 116.087 ± 0.002° |
| γ | 90° |
| Cell volume | 1282.59 ± 0.13 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273501 (current) | 2022-03-07 | cif/ Adding structures of 8104673 via cif-deposit CGI script. |
8104673.cif |
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