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Information card for entry 7246387
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Coordinates | 7246387.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H6 S2 |
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Calculated formula | C14 H6 S2 |
Title of publication | Linear π-conjugated polycyclic compounds consisting of four-, five-, and six-membered rings: benzo[1'',2'':3,4;4'',5'':3',4']bis(cyclobuta[1,2-<i>c</i>]thiophene). |
Authors of publication | Kuroiwa, Tatsuru; Asai, Daisuke; Hashimoto, Shingo; Tahara, Kazukuni |
Journal of publication | RSC advances |
Year of publication | 2023 |
Journal volume | 13 |
Journal issue | 7 |
Pages of publication | 4578 - 4583 |
a | 12.2173 ± 0.0014 Å |
b | 7.2881 ± 0.0008 Å |
c | 5.772 ± 0.0006 Å |
α | 90° |
β | 90.868 ± 0.01° |
γ | 90° |
Cell volume | 513.89 ± 0.1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.1008 |
Residual factor for significantly intense reflections | 0.0552 |
Weighted residual factors for significantly intense reflections | 0.0983 |
Weighted residual factors for all reflections included in the refinement | 0.1123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
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/7246387.html
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structural data.