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Information card for entry 7122220
Preview
| Coordinates | 7122220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H9 I O3 |
|---|---|
| Calculated formula | C13 H9 I O3 |
| Title of publication | Preparation and structure of phenolic aryliodonium salts. |
| Authors of publication | Yoshimura, Akira; Shea, Michael T.; Guselnikova, Olga; Postnikov, Pavel S.; Rohde, Gregory T.; Saito, Akio; Yusubov, Mekhman S.; Nemykin, Victor N.; Zhdankin, Viktor V. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 73 |
| Pages of publication | 10363 - 10366 |
| a | 15.5268 ± 0.0011 Å |
| b | 15.5268 ± 0.0011 Å |
| c | 16.7336 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3493.7 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 171 |
| Hermann-Mauguin space group symbol | P 62 |
| Hall space group symbol | P 62 |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0647 |
| Weighted residual factors for all reflections included in the refinement | 0.0681 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7122220.cif |
| 228049 | 2019-11-17 | cif/ Updating files of 7122217, 7122218, 7122219, 7122220, 7122221, 7122222 Original log message: Adding full bibliography for 7122217--7122222.cif. |
7122220.cif |
| 210062 | 2018-08-23 | cif/ Adding structures of 7122217, 7122218, 7122219, 7122220, 7122221, 7122222 via cif-deposit CGI script. |
7122220.cif |
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Users of the data should acknowledge the original authors of the
structural data.