Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1575066
Preview
Coordinates | 1575066.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Syn 1 |
---|---|
Formula | C65.1 H32.4 Cl16 N2 |
Calculated formula | C56 H22 Cl16 N2 |
Title of publication | Photostable Triphenylmethyl-Based Diradicals with a Degenerate Singlet-Triplet Ground State and Strong Photoluminescence |
Authors of publication | Arnold, Mona E.; Lebzelter, Anika; Thielert, Philipp; Blinder, Rémi; Schmid, Jonas; Zolg, Julia; Spatola, Emanuele; Jelezko, Fedor; von Delius, Max; Richert, Sabine; Kuehne, Alexander |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 8.2856 ± 0.0012 Å |
b | 17.898 ± 0.002 Å |
c | 21.953 ± 0.003 Å |
α | 108.813 ± 0.011° |
β | 97.313 ± 0.012° |
γ | 93.276 ± 0.011° |
Cell volume | 3039.8 ± 0.7 Å3 |
Cell temperature | 150 ± 0.14 K |
Ambient diffraction temperature | 150 ± 0.14 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 | 0.1899 |
Residual factor for significantly intense reflections | 0.0882 |
Weighted residual factors for significantly intense reflections | 0.1854 |
Weighted residual factors for all reflections included in the refinement | 0.2727 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.852 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301203 (current) | 2025-07-08 | cif/ Adding structures of 1575066 via cif-deposit CGI script. |
1575066.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.