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Information card for entry 7703865
Preview
| Coordinates | 7703865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | dimethyl 2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylate |
|---|---|
| Formula | C16 H13 I O4 |
| Calculated formula | C16 H13 I O4 |
| SMILES | Ic1c(ccc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC |
| Title of publication | Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants. |
| Authors of publication | Bryant, Macguire R.; Richardson, Christopher |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 5167 - 5174 |
| a | 7.8767 ± 0.0004 Å |
| b | 10.0877 ± 0.0005 Å |
| c | 10.6978 ± 0.0005 Å |
| α | 105.23 ± 0.004° |
| β | 107.161 ± 0.004° |
| γ | 102.068 ± 0.004° |
| Cell volume | 744.83 ± 0.07 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0217 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7703865.cif |
| 251620 | 2020-05-05 | cif/ Updating files of 7703865, 7703866 Original log message: Adding full bibliography for 7703865--7703866.cif. |
7703865.cif |
| 249772 | 2020-03-27 | cif/ Adding structures of 7703865, 7703866 via cif-deposit CGI script. |
7703865.cif |
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Users of the data should acknowledge the original authors of the
structural data.