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Information card for entry 4315859
Preview
| Coordinates | 4315859.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H14 I4 O5 |
|---|---|
| Calculated formula | C16 H14 I4 O5 |
| SMILES | [I](OC(=O)CI)(O[I](OC(=O)CI)c1ccccc1)c1ccccc1 |
| Title of publication | Anhydrides of Real and Hypothetical [Hydroxy(R-O)iodo]benzenes |
| Authors of publication | Helen W. Richter; Noel M. Paul; Dale G. Ray; Charlotte A. Ray; Louise M. Liable-Sands; Tom Concolino; Matthew Lam; Arnold L. Rheingold; Gerald F. Koser; James A. Golen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 5413 - 5423 |
| a | 9.7924 ± 0.0002 Å |
| b | 13.6145 ± 0.0002 Å |
| c | 16.6725 ± 0.0002 Å |
| α | 75.28 ± 0.001° |
| β | 82.258 ± 0.001° |
| γ | 80.573 ± 0.002° |
| Cell volume | 2110.65 ± 0.06 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1614 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.535 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4315859.cif |
| 179238 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/58. |
4315859.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315859.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315859.cif |
| 9021 | 2011-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4315859 via cif-deposit CGI script. |
4315859.cif |
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Users of the data should acknowledge the original authors of the
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