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Information card for entry 7133422
Preview
| Coordinates | 7133422.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4BPy-mDTC |
|---|---|
| Formula | C58 H62 N4 O2.5 |
| Calculated formula | C58 H62 N4 O2.5 |
| Title of publication | Single-component TADF gels: study of the positional isomer effect on gelation and morphological effect on conductivity. |
| Authors of publication | Nanda, Gyana Prakash; Chand, Savita; Rajamanickam, Suresh; Rajamalli, Pachaiyappan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2024 |
| Journal volume | 60 |
| Journal issue | 69 |
| Pages of publication | 9234 - 9237 |
| a | 12.2185 ± 0.0017 Å |
| b | 12.7948 ± 0.0017 Å |
| c | 16.259 ± 0.002 Å |
| α | 95.049 ± 0.007° |
| β | 93.58 ± 0.007° |
| γ | 102.198 ± 0.007° |
| Cell volume | 2466.2 ± 0.6 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0696 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1742 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294416 (current) | 2024-09-06 | cif/ Updating files of 7133422 Original log message: Adding full bibliography for 7133422.cif. |
7133422.cif |
| 293568 | 2024-07-28 | cif/ Adding structures of 7133422 via cif-deposit CGI script. |
7133422.cif |
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Users of the data should acknowledge the original authors of the
structural data.