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Information card for entry 1566831
Preview
| Coordinates | 1566831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H24 N3 P S4 |
|---|---|
| Calculated formula | C36 H24 N3 P S4 |
| SMILES | P(=S)(N1c2c(Sc3c1cccc3)cccc2)(N1c2ccccc2Sc2ccccc12)N1c2ccccc2Sc2c1cccc2 |
| Title of publication | Crystallization Induced Room-Temperature Phosphorescence and Chiral Photoluminescence Properties of Phosphoramides |
| Authors of publication | Jena, Satyam; Jusaina, Jusaina; Behera, Santosh Kumar; Kitahara, Maho; Imai, Yoshitane; Thilagar, P. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.351 ± 0.004 Å |
| b | 14.475 ± 0.006 Å |
| c | 12.042 ± 0.005 Å |
| α | 90° |
| β | 111.149 ± 0.009° |
| γ | 90° |
| Cell volume | 1520.2 ± 1.1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0454 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274604 (current) | 2022-04-21 | cif/ Adding structures of 1566831, 1566832, 1566833 via cif-deposit CGI script. |
1566831.cif |
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Users of the data should acknowledge the original authors of the
structural data.