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Information card for entry 4003385
Preview
Coordinates | 4003385.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H86.96 N4 O4 S4 |
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Calculated formula | C66 H86.962 N4 O4 S4 |
Title of publication | Conjugated Oligomers with Stable Radical Substituents: Synthesis, Single Crystal Structures, Electronic Structure, and Excited State Dynamics |
Authors of publication | Huang, Yiming; Xu, Zihao; Jin, Shijian; Li, Chenyang; Warncke, Kurt; Evangelista, Francesco A.; Lian, Tianquan; Egap, Eilaf |
Journal of publication | Chemistry of Materials |
Year of publication | 2018 |
Journal volume | 30 |
Journal issue | 21 |
Pages of publication | 7840 |
a | 81.554 ± 0.003 Å |
b | 81.554 ± 0.003 Å |
c | 7.1811 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 41363 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1855 |
Residual factor for significantly intense reflections | 0.1385 |
Weighted residual factors for significantly intense reflections | 0.3827 |
Weighted residual factors for all reflections included in the refinement | 0.4171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.524 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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