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Information card for entry 4124831
Preview
Coordinates | 4124831.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,14-di(t-butyldimethylsilylethynyl)dibenzo[a,m]rubicene |
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Formula | C50 H46 Si2 |
Calculated formula | C50 H46 Si2 |
SMILES | C[Si](C)(C(C)(C)C)C#Cc1c2ccccc2c2c3c4ccccc4c4c(C#C[Si](C)(C)C(C)(C)C)c5ccccc5c(c5c6ccccc6c1c25)c34 |
Title of publication | Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. |
Authors of publication | Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 51 |
Pages of publication | 16203 - 16208 |
a | 21.236 ± 0.004 Å |
b | 24.857 ± 0.005 Å |
c | 7.6161 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4020.3 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.171 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1168 |
Weighted residual factors for all reflections included in the refinement | 0.1704 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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