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Information card for entry 7123166
Preview
| Coordinates | 7123166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H26 I4 N2 O4 S2 |
|---|---|
| Calculated formula | C28 H26 I4 N2 O4 S2 |
| Title of publication | Diiodomethyl-sulfonyl moiety: An unexplored halogen bond-donor motif |
| Authors of publication | Dichiarante, Valentina; Kaiho, Tatsuo; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo; Ursini, Maurizio |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 11.1342 ± 0.0006 Å |
| b | 17.3124 ± 0.001 Å |
| c | 19.0131 ± 0.0011 Å |
| α | 114.136 ± 0.002° |
| β | 90.987 ± 0.002° |
| γ | 97.782 ± 0.002° |
| Cell volume | 3303.1 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0611 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214231 (current) | 2019-03-21 | cif/ Adding structures of 7123165, 7123166, 7123167, 7123168 via cif-deposit CGI script. |
7123166.cif |
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Users of the data should acknowledge the original authors of the
structural data.