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Information card for entry 2002017
Preview
| Coordinates | 2002017.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1,3-Xylyl-(18-crown-5)-ammonium-catecholborate |
|---|---|
| Formula | C28 H36 B N O9 |
| Calculated formula | C28 H36 B N O9 |
| Title of publication | Structure of 1,3-xylyl-(18-crown-5)–ammonium catecholborate (1/1) |
| Authors of publication | Goddard, R.; Niemeyer, C. M.; Reetz, M. T. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 2 |
| Pages of publication | 402 - 404 |
| a | 14.93 ± 0.002 Å |
| b | 11.193 ± 0.001 Å |
| c | 17.211 ± 0.001 Å |
| α | 90° |
| β | 99.896 ± 0.005° |
| γ | 90° |
| Cell volume | 2833.4 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| 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 | 0.109 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Goodness-of-fit parameter for significantly intense reflections | 1.97 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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