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Information card for entry 1515003
Preview
Coordinates | 1515003.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H23 Cl2 N2 |
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Calculated formula | C29 H23 Cl2 N2 |
SMILES | N#CC(=C\C=C\C=C\c1ccccc1)/C=C/C(=C/C=C/C=C/c1ccccc1)C#N.ClCCl |
Title of publication | Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes |
Authors of publication | Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 4 |
Pages of publication | 1007 |
a | 22.398 ± 0.003 Å |
b | 11.1946 ± 0.0017 Å |
c | 9.7652 ± 0.0014 Å |
α | 90° |
β | 95.645 ± 0.002° |
γ | 90° |
Cell volume | 2436.6 ± 0.6 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1627 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1095 |
Weighted residual factors for all reflections included in the refinement | 0.1423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
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/1515003.html
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