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Information card for entry 7224114
Preview
Coordinates | 7224114.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | PyTPEI |
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Chemical name | 9-phenyl-10-(4-(1,2,2-triphenylvinyl)phenyl)-9H-pyreno[4,5-d]imidazole |
Formula | C49 H32 N2 |
Calculated formula | C49 H32 N2 |
SMILES | n1c2c(n(c1c1ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc1)c1ccccc1)c1c3c4c2cccc4ccc3ccc1 |
Title of publication | Efficient Pyrene-Imidazole Derivatives for Organic Light-emitting Diodes |
Authors of publication | Liu, Yulong; Bai, Qing; Li, Jinyu; Zhang, Shitong; Zhang, Chen; Lu, Fang; Yang, Bing; Lu, Ping |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 9.4323 ± 0.0019 Å |
b | 9.962 ± 0.002 Å |
c | 18.769 ± 0.004 Å |
α | 83.37 ± 0.03° |
β | 81.36 ± 0.03° |
γ | 79 ± 0.03° |
Cell volume | 1704.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1069 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.1792 |
Weighted residual factors for all reflections included in the refinement | 0.2051 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
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/7224114.html
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