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Information card for entry 1566833
Preview
| Coordinates | 1566833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H24 N3 P0.5 S4 Se |
|---|---|
| Calculated formula | C36 H24 N3 P S3 Se |
| SMILES | [Se]=P(N1c2c(Sc3ccccc13)cccc2)(N1c2c(Sc3ccccc13)cccc2)N1c2ccccc2Sc2ccccc12 |
| 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 | 9.3508 ± 0.0004 Å |
| b | 14.3508 ± 0.0007 Å |
| c | 11.9256 ± 0.0006 Å |
| α | 90° |
| β | 111.396 ± 0.001° |
| γ | 90° |
| Cell volume | 1490.02 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0335 |
| Residual factor for significantly intense reflections | 0.0264 |
| Weighted residual factors for significantly intense reflections | 0.0562 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.927 |
| 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. |
1566833.cif |
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Users of the data should acknowledge the original authors of the
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