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Information card for entry 1559358
Preview
Coordinates | 1559358.cif |
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Original paper (by DOI) | HTML |
Formula | C55 H40 Cl2 O2 |
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Calculated formula | C55 H40 Cl2 O2 |
SMILES | c12c3c4ccccc4c(c1C(=O)c1ccccc1c2c1c2c3c3ccccc3c(c2C(=O)c2ccccc12)c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C.C(Cl)Cl |
Title of publication | Synthesis, crystal structure and charge transport characteristics of stable <i>peri</i>-tetracene analogues. |
Authors of publication | Mamada, Masashi; Nakamura, Ryota; Adachi, Chihaya |
Journal of publication | Chemical science |
Year of publication | 2020 |
Journal volume | 12 |
Journal issue | 2 |
Pages of publication | 552 - 558 |
a | 14.5132 ± 0.0006 Å |
b | 21.9543 ± 0.0009 Å |
c | 12.9943 ± 0.0006 Å |
α | 90° |
β | 94.23 ± 0.004° |
γ | 90° |
Cell volume | 4129.1 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.069 |
Residual factor for significantly intense reflections | 0.048 |
Weighted residual factors for significantly intense reflections | 0.1278 |
Weighted residual factors for all reflections included in the refinement | 0.1397 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1559358.html
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