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Information card for entry 1513689
Preview
Coordinates | 1513689.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H28 S2 |
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Calculated formula | C34 H28 S2 |
SMILES | Cc1cc(C)c(c(c1)C)c1c2ccsc2c2c1cc1c3sccc3c(c1c2)c1c(C)cc(cc1C)C |
Title of publication | Synthesis and Properties of Fully-Conjugated Indacenedithiophenes. |
Authors of publication | Young, Brian S; Chase, Daniel T; Marshall, Jonathan L; Vonnegut, Chris L; Zakharov, Lev N; Haley, Michael M |
Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 3 |
Pages of publication | 1008 - 1014 |
a | 14.2992 ± 0.0006 Å |
b | 7.084 ± 0.0003 Å |
c | 13.4824 ± 0.0006 Å |
α | 90° |
β | 108.84 ± 0.002° |
γ | 90° |
Cell volume | 1292.54 ± 0.1 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 | 0.0418 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.117 |
Weighted residual factors for all reflections included in the refinement | 0.1194 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1513689.html
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