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Information card for entry 4131302
Preview
Coordinates | 4131302.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C51 H54 N4 O |
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Calculated formula | C51 H54 N4 O |
SMILES | c12ccc(cc1c1cc(ccc1n2c1ccc(cn1)C(=O)c1cnc(cc1)n1c2ccc(cc2c2cc(ccc12)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | New Molecular Design Concurrently Providing Superior Pure Blue, Thermally Activated Delayed Fluorescence and Optical Out-Coupling Efficiencies. |
Authors of publication | Rajamalli, P.; Senthilkumar, N.; Huang, P.-Y.; Ren-Wu, C-C; Lin, H.-W.; Cheng, C.-H. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 32 |
Pages of publication | 10948 - 10951 |
a | 23.024 ± 0.003 Å |
b | 17.123 ± 0.002 Å |
c | 23.177 ± 0.003 Å |
α | 90° |
β | 110.793 ± 0.002° |
γ | 90° |
Cell volume | 8542.2 ± 1.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.262 |
Residual factor for significantly intense reflections | 0.085 |
Weighted residual factors for significantly intense reflections | 0.1844 |
Weighted residual factors for all reflections included in the refinement | 0.2693 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4131302.html
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