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Information card for entry 1506129
Preview
Coordinates | 1506129.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H38 F4 N2 O4 |
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Calculated formula | C39.999 H38 F4 N2 O4 |
SMILES | Fc1c2c3c4c(C(=O)N(C(=O)c4c1)CCCCCCCC)cc(F)c3c1c3c2c(F)cc2c3c(cc1F)C(=O)N(C2=O)CCCCCCCC |
Title of publication | Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides. |
Authors of publication | Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 17 |
Pages of publication | 3765 - 3768 |
a | 7.8097 ± 0.0004 Å |
b | 12.1717 ± 0.0007 Å |
c | 18.252 ± 0.001 Å |
α | 75.605 ± 0.001° |
β | 80.791 ± 0.001° |
γ | 80.205 ± 0.001° |
Cell volume | 1643.37 ± 0.16 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1145 |
Residual factor for significantly intense reflections | 0.1025 |
Weighted residual factors for significantly intense reflections | 0.1826 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.375 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1506129.html
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