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Information card for entry 4025262
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Coordinates | 4025262.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 2,5-dibromo-3-β-pentafluorostyrylthiophene |
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Chemical name | 2,5-dibromo-3-β-pentafluorostyrylthiophene |
Formula | C12 H3 Br2 F5 S |
Calculated formula | C12 H3 Br2 F5 S |
SMILES | c1(/C=C/c2c(F)c(F)c(F)c(c2F)F)c(Br)sc(Br)c1 |
Title of publication | Synthesis and Supramolecular Organization of Regioregular Polythiophene Block Oligomers |
Authors of publication | Sébastien Clément; Franck Meyer; Julien De Winter; Olivier Coulembier; Christophe M. L. Vande Velde; Matthias Zeller; Pascal Gerbaux; Jean-Yves Balandier; Sergey Sergeyev; Roberto Lazzaroni; Yves Geerts; Philippe Dubois |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 1561 - 1568 |
a | 7.2777 ± 0.0006 Å |
b | 13.5284 ± 0.0012 Å |
c | 12.9108 ± 0.0011 Å |
α | 90° |
β | 94.535 ± 0.001° |
γ | 90° |
Cell volume | 1267.16 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0403 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0693 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025262.html
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Users of the data should acknowledge the original authors of the
structural data.