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Information card for entry 1551737
Preview
| Coordinates | 1551737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H31 B O2 |
|---|---|
| Calculated formula | C23 H31 B O2 |
| SMILES | B1(c2c(C)cc(C)cc2C)Oc2c(cc(cc2O1)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis and Molecular Structure of 4,6-Di-tert-butyl-2-mesitylbenzo-[d][1,3,2]dioxaborole |
| Authors of publication | GEIER, Michael J.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2011 |
| Journal volume | 27 |
| Pages of publication | 33 |
| a | 15.017 ± 0.003 Å |
| b | 9.6038 ± 0.0019 Å |
| c | 15.896 ± 0.003 Å |
| α | 90° |
| β | 113.712 ± 0.003° |
| γ | 90° |
| Cell volume | 2099 ± 0.7 Å3 |
| Cell temperature | 198 ± 1 K |
| Ambient diffraction temperature | 198 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216349 (current) | 2019-06-20 | cif/ Adding structures of 1551737 via cif-deposit CGI script. |
1551737.cif |
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Users of the data should acknowledge the original authors of the
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