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Information card for entry 7215892
Preview
Coordinates | 7215892.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H8 S2 |
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Calculated formula | C14 H8 S2 |
SMILES | s1c2ccccc2c2sc3ccccc3c12 |
Title of publication | Optical gap in herringbone and π-stacked crystals of [1]benzothieno[3,2-b]benzothiophene and its brominated derivative |
Authors of publication | Vyas, Vijay S.; Gutzler, Rico; Nuss, Jürgen; Kern, Klaus; Lotsch, Bettina V. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 32 |
Pages of publication | 7389 |
a | 11.8009 ± 0.0018 Å |
b | 5.8622 ± 0.0009 Å |
c | 7.9331 ± 0.0012 Å |
α | 90° |
β | 105.974 ± 0.003° |
γ | 90° |
Cell volume | 527.61 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0298 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0717 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
Diffraction radiation probe | x-ray |
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/7215892.html
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