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Information card for entry 1574397
Preview
| Coordinates | 1574397.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 21 |
|---|---|
| Formula | C58 H54 Cl6 |
| Calculated formula | C58 H54 Cl6 |
| Title of publication | Functionalization and solubilization of polycyclic aromatic compounds by sulfoniumization |
| Authors of publication | Erchinger, Johannes E.; Okumura, Tsubasa; Nakata, Kanami; Shimizu, Daisuke; Daniliuc, Constantin; Amaike, Kazuma; Glorius, Frank; Itami, Kenichiro; Ito, Hideto |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 20.8136 ± 0.0018 Å |
| b | 6.0124 ± 0.0004 Å |
| c | 21.4653 ± 0.0018 Å |
| α | 90° |
| β | 116.226 ± 0.01° |
| γ | 90° |
| Cell volume | 2409.6 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.2135 |
| Weighted residual factors for all reflections included in the refinement | 0.2358 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299278 (current) | 2025-04-12 | cif/ Adding structures of 1574397, 1574398, 1574399, 1574400 via cif-deposit CGI script. |
1574397.cif |
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Users of the data should acknowledge the original authors of the
structural data.