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Information card for entry 7250445
Preview
| Coordinates | 7250445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H39 N |
|---|---|
| Calculated formula | C60 H39 N |
| Title of publication | Manipulating Excited States of Non-Doped Deep Blue Emitter by Adjusting the Intramolecular Torsion Angle |
| Authors of publication | Lin, Ling; Li, Yulong; Lin, Youran; Huang, Yu; Li, Mingke; Yu, Yue; Ying, Lei; Ma, Yuguang |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 7.9644 ± 0.0006 Å |
| b | 13.679 ± 0.0011 Å |
| c | 22.3497 ± 0.0017 Å |
| α | 79.967 ± 0.005° |
| β | 86.095 ± 0.005° |
| γ | 85.56 ± 0.005° |
| Cell volume | 2386.8 ± 0.3 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.1544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299806 (current) | 2025-05-24 | cif/ Adding structures of 7250445, 7250446 via cif-deposit CGI script. |
7250445.cif |
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Users of the data should acknowledge the original authors of the
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