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Information card for entry 7126958
Preview
| Coordinates | 7126958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H66 N4 O15 S2 |
|---|---|
| Calculated formula | C54 H66 N4 O15 S2 |
| Title of publication | Near-infrared electrochemiluminescence in water through regioselective sulfonation of diaza [4] and [6]helicene dyes. |
| Authors of publication | Li, Haidong; Duwald, Romain; Pascal, Simon; Voci, Silvia; Besnard, Céline; Bosson, Johann; Bouffier, Laurent; Lacour, Jérôme; Sojic, Neso |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 68 |
| Pages of publication | 9771 - 9774 |
| a | 10.1378 ± 0.0003 Å |
| b | 10.9386 ± 0.0003 Å |
| c | 23.3534 ± 0.0006 Å |
| α | 87.576 ± 0.002° |
| β | 85.907 ± 0.002° |
| γ | 86.452 ± 0.002° |
| Cell volume | 2576.31 ± 0.12 Å3 |
| Cell temperature | 180.15 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0664 |
| Weighted residual factors for significantly intense reflections | 0.186 |
| Weighted residual factors for all reflections included in the refinement | 0.1976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256017 (current) | 2020-09-06 | cif/ Updating files of 7126958 Original log message: Adding full bibliography for 7126958.cif. |
7126958.cif |
| 254525 | 2020-07-24 | cif/ Adding structures of 7126958 via cif-deposit CGI script. |
7126958.cif |
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Users of the data should acknowledge the original authors of the
structural data.