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Information card for entry 4029752
Preview
Coordinates | 4029752.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H4 O2 S2 |
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Calculated formula | C10 H4 O2 S2 |
SMILES | s1ccc2c1C(=O)C(=O)c1sccc21 |
Title of publication | Syntheses and properties of thienyl-substituted dithienophenazines. |
Authors of publication | Meyer, Annemarie; Sigmund, Eva; Luppertz, Friedhelm; Schnakenburg, Gregor; Gadaczek, Immanuel; Bredow, Thomas; Jester, Stefan-S; Höger, Sigurd |
Journal of publication | Beilstein journal of organic chemistry |
Year of publication | 2010 |
Journal volume | 6 |
Pages of publication | 1180 - 1187 |
a | 8.9233 ± 0.0004 Å |
b | 14.8008 ± 0.0008 Å |
c | 6.6258 ± 0.0002 Å |
α | 90° |
β | 102.935 ± 0.003° |
γ | 90° |
Cell volume | 852.88 ± 0.07 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0376 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0699 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/4029752.html
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Users of the data should acknowledge the original authors of the
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