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Information card for entry 4507155
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4507155.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H70 S2 |
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Calculated formula | C66 H68 S2 |
Title of publication | Benzo[1,2-b:4,5-b′]dithiophene-Based Cruciforms: Syntheses, Crystal Structures, and Charge Transport Properties |
Authors of publication | Wang, Shitao; Ren, Shendong; Xiong, Yu; Wang, Mao; Gao, Xike; Li, Hongxiang |
Journal of publication | ACS Applied Materials & Interfaces |
Year of publication | 2013 |
Journal volume | 5 |
Journal issue | 3 |
Pages of publication | 663 |
a | 8.6659 ± 0.0017 Å |
b | 13.122 ± 0.003 Å |
c | 13.694 ± 0.003 Å |
α | 112.96 ± 0.004° |
β | 93.861 ± 0.004° |
γ | 97.858 ± 0.004° |
Cell volume | 1407.9 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2133 |
Residual factor for significantly intense reflections | 0.0882 |
Weighted residual factors for significantly intense reflections | 0.2154 |
Weighted residual factors for all reflections included in the refinement | 0.2933 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4507155.html
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Users of the data should acknowledge the original authors of the
structural data.