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Information card for entry 7059266
Preview
| Coordinates | 7059266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (21A) |
|---|---|
| Chemical name | (2-iodo-5-methoxy-4'-phenoxybiphenyl-3-yl)boronic acid |
| Formula | C19 H16 B I O4 |
| Calculated formula | C19 H16 B I O4 |
| Title of publication | Regioselective synthesis of ortho-iodobiphenylboronic acid derivatives: a superior catalyst for carboxylic acid activation |
| Authors of publication | Al-Zoubi, Raed M.; Al-Jammal, Walid K.; McDonald, Robert |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 9 |
| Pages of publication | 3612 - 3623 |
| a | 5.1433 ± 0.0002 Å |
| b | 13.2175 ± 0.0004 Å |
| c | 14.1071 ± 0.0004 Å |
| α | 114.14 ± 0.0017° |
| β | 94.4519 ± 0.0016° |
| γ | 93.3392 ± 0.0016° |
| Cell volume | 868.24 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059266.cif |
| 257818 | 2020-10-06 | cif/ Updating files of 7059263, 7059264, 7059265, 7059266 Original log message: Adding full bibliography for 7059263--7059266.cif. |
7059266.cif |
| 249013 | 2020-03-05 | cif/ Updating files of 7059263, 7059264, 7059265, 7059266 Original log message: Adding full bibliography for 7059263--7059266.cif. |
7059266.cif |
| 247432 | 2020-02-01 | cif/ Adding structures of 7059263, 7059264, 7059265, 7059266 via cif-deposit CGI script. |
7059266.cif |
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Users of the data should acknowledge the original authors of the
structural data.