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Information card for entry 4504160
Preview
| Coordinates | 4504160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-Carboxyphenylboronic acid hydrate |
|---|---|
| Formula | C7 H7.5 B O4.25 |
| Calculated formula | C7 H7.5 B O4.25 |
| Title of publication | Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates |
| Authors of publication | SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2007 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 944 |
| a | 13.14 ± 0.003 Å |
| b | 18.138 ± 0.005 Å |
| c | 25.328 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6037 ± 3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1335 |
| Weighted residual factors for all reflections included in the refinement | 0.1414 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4504160.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504160.cif |
| 44938 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4504160 via cif-deposit CGI script. |
4504160.cif |
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Users of the data should acknowledge the original authors of the
structural data.