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Information card for entry 2013103
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Coordinates | 2013103.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2,5-Di-2-thienylthiazolo[4,5-d]thiazole |
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Formula | C12 H6 N2 S4 |
Calculated formula | C12 H6 N2 S4 |
SMILES | c1csc(c1)c1nc2c(s1)nc(s2)c1cccs1 |
Title of publication | 2,5-Di-2-thienylthiazolo[4,5-<i>d</i>]thiazole |
Authors of publication | Wagner, Paweł; Kubicki, Maciej |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 2 |
Pages of publication | o91 - o92 |
a | 6.004 ± 0.0012 Å |
b | 8.358 ± 0.0017 Å |
c | 12.27 ± 0.003 Å |
α | 90° |
β | 92.72 ± 0.03° |
γ | 90° |
Cell volume | 615 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0314 |
Residual factor for significantly intense reflections | 0.0283 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0681 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/2013103.html
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