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Information card for entry 4001850
Preview
Coordinates | 4001850.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H64 N2 O4 |
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Calculated formula | C52 H64 N2 O4 |
SMILES | CCCCCCOc1cc(C#Cc2ccncc2)c(cc1C#Cc1cc(OCCCCCC)c(cc1OCCCCCC)C#Cc1ccncc1)OCCCCCC |
Title of publication | Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances |
Authors of publication | Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas |
Journal of publication | Chemistry of Materials |
Year of publication | 2013 |
Journal volume | 25 |
Journal issue | 21 |
Pages of publication | 4340 |
a | 12.2332 ± 0.0019 Å |
b | 9.4949 ± 0.0015 Å |
c | 38.973 ± 0.006 Å |
α | 90° |
β | 94.17 ± 0.02° |
γ | 90° |
Cell volume | 4514.8 ± 1.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0764 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1352 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4001850.html
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