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Information card for entry 7711391
Preview
| Coordinates | 7711391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 B2 O3 |
|---|---|
| Calculated formula | C12 H12 B2 O3 |
| Title of publication | Boronic ester functionalised 1,8-diboryl-naphthalene scaffolds: fluoride <i>versus</i> oxide chelation. |
| Authors of publication | Booth, Anna C.; Vasko, Petra; Fuentes, M Ángeles; Cornelissen, Bart; Faulkner, Stephen; Aldridge, Simon |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2022 |
| a | 11.9568 ± 0.0002 Å |
| b | 11.9568 ± 0.0002 Å |
| c | 16.1148 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2303.85 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for all reflections | 0.1589 |
| Weighted residual factors for significantly intense reflections | 0.1537 |
| Weighted residual factors for all reflections included in the refinement | 0.1589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9261 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278341 (current) | 2022-10-05 | cif/ Adding structures of 7711390, 7711391, 7711392, 7711393, 7711394, 7711395 via cif-deposit CGI script. |
7711391.cif |
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Users of the data should acknowledge the original authors of the
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