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Information card for entry 7242414
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Coordinates | 7242414.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H42 O8 S2 |
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Calculated formula | C34 H42 O8 S2 |
Title of publication | Effect of substituting non-polar chains with polar chains on the structural dynamics of small organic molecule and polymer semiconductors |
Authors of publication | Guilbert, Anne A. Y.; Parr, Zachary S.; Kreouzis, Theo; Woods, Duncan J.; Sprick, Reiner Sebastian; Abrahams, I.; Nielsen, Christian; Zbiri, Mohamed |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2021 |
a | 22.969 ± 0.001 Å |
b | 8.1561 ± 0.0003 Å |
c | 8.6458 ± 0.0003 Å |
α | 90° |
β | 100.575 ± 0.004° |
γ | 90° |
Cell volume | 1592.17 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0584 |
Residual factor for significantly intense reflections | 0.0488 |
Weighted residual factors for significantly intense reflections | 0.1287 |
Weighted residual factors for all reflections included in the refinement | 0.1337 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7242414.html
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structural data.