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Information card for entry 4514593
Preview
Coordinates | 4514593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H66 B N3 |
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Calculated formula | C65 H66 B N3 |
SMILES | n1(c2c(cc(C)cc2C)c2c1c(cc(c2)C)C)c1cc2c(N(c3c(B2c2c(C(C)C)cc(cc2C(C)C)C(C)C)cc(n2c4c(cc(C)cc4C)c4cc(C)cc(c24)C)cc3)c2ccccc2)cc1 |
Title of publication | Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters. |
Authors of publication | Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2019 |
Journal volume | 11 |
Journal issue | 11 |
Pages of publication | 10768 - 10776 |
a | 16.332 ± 0.0011 Å |
b | 20.538 ± 0.0015 Å |
c | 16.6758 ± 0.0012 Å |
α | 90° |
β | 113.255 ± 0.003° |
γ | 90° |
Cell volume | 5139.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0846 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1101 |
Weighted residual factors for all reflections included in the refinement | 0.1264 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4514593.html
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Users of the data should acknowledge the original authors of the
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