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Information card for entry 7226796
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Coordinates | 7226796.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H57 N S8 |
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Calculated formula | C53 H57 N S8 |
Title of publication | Applying thieno[3,2-b]thiophene as a building block in the design of rigid extended thienoacenes |
Authors of publication | Magnan, François; Gabidullin, Bulat; Brusso, Jaclyn L. |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 99 |
Pages of publication | 97420 |
a | 4.6484 ± 0.0002 Å |
b | 13.9788 ± 0.0007 Å |
c | 19.2908 ± 0.0009 Å |
α | 105.132 ± 0.002° |
β | 90.17 ± 0.003° |
γ | 98.42 ± 0.003° |
Cell volume | 1195.88 ± 0.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0725 |
Residual factor for significantly intense reflections | 0.0519 |
Weighted residual factors for significantly intense reflections | 0.1274 |
Weighted residual factors for all reflections included in the refinement | 0.133 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
187316 (current) | 2016-10-13 | cif/ Adding structures of 7226796 via cif-deposit CGI script. |
7226796.cif |
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Users of the data should acknowledge the original authors of the
structural data.