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Information card for entry 1564610
Preview
| Coordinates | 1564610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 Br2 O3 S Si2 |
|---|---|
| Calculated formula | C28 H44 Br2 O3 S Si2 |
| SMILES | Brc1c(sc([Si](C(C)C)(C(C)C)C(C)C)c1)C(=O)C(=O)c1oc([Si](C(C)C)(C(C)C)C(C)C)cc1Br |
| Title of publication | Room-temperature phosphorescence of a supercooled liquid: kinetic stabilisation by desymmetrisation |
| Authors of publication | Komura, Mao; Ogawa, Takuji; Tani, Yosuke |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 14.1498 ± 0.0004 Å |
| b | 9.2174 ± 0.0003 Å |
| c | 25.7482 ± 0.0008 Å |
| α | 90° |
| β | 95.165 ± 0.003° |
| γ | 90° |
| Cell volume | 3344.56 ± 0.18 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0958 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269090 (current) | 2021-09-11 | cif/ Adding structures of 1564610 via cif-deposit CGI script. |
1564610.cif |
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