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Information card for entry 7241042
Preview
Coordinates | 7241042.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H32 O2 |
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Calculated formula | C41 H32 O2 |
Title of publication | Tuning the π-π overlap and charge transport in single crystals of an organic semiconductor via solvation and polymorphism. |
Authors of publication | Courté, Marc; Ye, Jun; Jiang, Hui; Ganguly, Rakesh; Tang, Shasha; Kloc, Christian; Fichou, Denis |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 35 |
Pages of publication | 19855 - 19863 |
a | 31.5547 ± 0.0016 Å |
b | 6.137 ± 0.0002 Å |
c | 17.2488 ± 0.0009 Å |
α | 90° |
β | 119.126 ± 0.0016° |
γ | 90° |
Cell volume | 2917.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1629 |
Weighted residual factors for all reflections included in the refinement | 0.1882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
258988 (current) | 2020-11-06 | cif/ Updating files of 7241040, 7241041, 7241042, 7241043, 7241044 Original log message: Adding full bibliography for 7241040--7241044.cif. |
7241042.cif |
255251 | 2020-08-12 | cif/ Adding structures of 7241040, 7241041, 7241042, 7241043, 7241044 via cif-deposit CGI script. |
7241042.cif |
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Users of the data should acknowledge the original authors of the
structural data.