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Information card for entry 1551168
Preview
| Coordinates | 1551168.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H22 N4 |
|---|---|
| Calculated formula | C33 H22 N4 |
| SMILES | n1(c2ccccc2c2c1cccc2)c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1 |
| Title of publication | Turn on of Sky-Blue Thermally Activated Delayed Fluorescence and Circularly Polarized Luminescence (CPL) via Increased Torsion by a Bulky Carbazolophane Donor |
| Authors of publication | Sharma, Nidhi; Spuling, Eduard; Mattern, Cornelia; Li, Wenbo; Fuhr, Olaf; Tsuchiya, Youichi; Adachi, Chihaya; Braese, Stefan; Samuel, Ifor; Zysman-Colman, Eli |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 3.8653 ± 0.0002 Å |
| b | 15.5368 ± 0.0008 Å |
| c | 19.505 ± 0.0012 Å |
| α | 101.55 ± 0.004° |
| β | 91.474 ± 0.005° |
| γ | 94.709 ± 0.004° |
| Cell volume | 1142.7 ± 0.11 Å3 |
| Cell temperature | 160.15 K |
| Ambient diffraction temperature | 160.15 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34143 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1551168.cif |
| 215594 | 2019-05-30 | cif/ Adding structures of 1551168, 1551169 via cif-deposit CGI script. |
1551168.cif |
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Users of the data should acknowledge the original authors of the
structural data.