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Information card for entry 7704997
Preview
| Coordinates | 7704997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 7c |
|---|---|
| Formula | C19 H20 B N3 O3 |
| Calculated formula | C19 H20 B N3 O3 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)c1ccc(c2nnc(o2)c2ncccc2)cc1 |
| Title of publication | Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing. |
| Authors of publication | Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 32 |
| Pages of publication | 11361 - 11374 |
| a | 5.9916 ± 0.0003 Å |
| b | 18.1389 ± 0.0005 Å |
| c | 18.0161 ± 0.0008 Å |
| α | 90° |
| β | 116.415 ± 0.006° |
| γ | 90° |
| Cell volume | 1753.58 ± 0.16 Å3 |
| Cell temperature | 128 ± 20 K |
| Ambient diffraction temperature | 128 ± 20 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 | 0.043 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704997.cif |
| 256054 | 2020-09-06 | cif/ Updating files of 7704997, 7704998, 7704999 Original log message: Adding full bibliography for 7704997--7704999.cif. |
7704997.cif |
| 254758 | 2020-08-04 | cif/ Adding structures of 7704997, 7704998, 7704999 via cif-deposit CGI script. |
7704997.cif |
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Users of the data should acknowledge the original authors of the
structural data.