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Information card for entry 1547403
Preview
Coordinates | 1547403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H58 Br2 S4 |
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Calculated formula | C44 H58 Br2 S4 |
Title of publication | Oligomers of Cyclopentadithiophene-Vinylene in Aromatic and Quinoidal Versions and Redox Species with Intermediate Forms |
Authors of publication | Mayorga Burrezo, Paula; Domínguez, Rocío; Zafra, José L.; Pappenfus, Ted M.; de la Cruz, Pilar; Welte, Lorena; Janzen, Daron Edward; lopez navarrete, juan teodomiro; Langa, Fernando; Casado Cordón, Juan |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 12.463 ± 0.002 Å |
b | 13.493 ± 0.003 Å |
c | 15.328 ± 0.003 Å |
α | 64.971 ± 0.005° |
β | 73.14 ± 0.005° |
γ | 82.198 ± 0.006° |
Cell volume | 2234.9 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0892 |
Residual factor for significantly intense reflections | 0.0543 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1433 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71075 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/1547403.html
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