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Information card for entry 1547293
Preview
Coordinates | 1547293.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H14 F4 N2 |
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Calculated formula | C32 H14 F4 N2 |
SMILES | Fc1ccc(c2c3c(c(c4ccc(F)cc4)c4c(cc(F)cc4)c3C#N)c(c3c2ccc(F)c3)C#N)cc1 |
Title of publication | Substituent Effects on Singlet Exciton Fission in Polycrystalline Thin Films of Cyano-Substituted Diaryltetracenes |
Authors of publication | Margulies, Eric A.; Kerisit, Nicolas; Gawel, Przemyslaw; Mauck, Catherine M.; Ma, Lin; Miller, Claire E.; Young, Ryan M.; Trapp, Nils; Wu, Yi-Lin; Diederich, François; Wasielewski, Michael R. |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2017 |
Journal volume | 121 |
Journal issue | 39 |
Pages of publication | 21262 |
a | 7.0204 ± 0.0011 Å |
b | 7.3076 ± 0.0013 Å |
c | 11.485 ± 0.002 Å |
α | 102.679 ± 0.005° |
β | 92.77 ± 0.005° |
γ | 103.071 ± 0.005° |
Cell volume | 556.96 ± 0.16 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0452 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.1014 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
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/1547293.html
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