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Information card for entry 7225354
Preview
Coordinates | 7225354.cif |
---|---|
Original paper (by DOI) | HTML |
External links | PubChem |
Formula | C28 H18 N6 |
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Calculated formula | C28 H18 N6 |
SMILES | c1cccc2c1[nH]c1c3ccccc3[nH]c21.N#CC(C#N)=C1C=C(C(=C(C#N)C#N)C=C1C)C |
Title of publication | Air-stable ambipolar organic transistors based on charge-transfer complexes containing dibenzopyrrolopyrrole |
Authors of publication | Fujisue, Chika; Kadoya, Tomofumi; Higashino, Toshiki; Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 7.0445 ± 0.0003 Å |
b | 8.9964 ± 0.0004 Å |
c | 9.7681 ± 0.0004 Å |
α | 74.396 ± 0.002° |
β | 71.111 ± 0.003° |
γ | 65.2771 ± 0.0017° |
Cell volume | 525.56 ± 0.04 Å3 |
Cell temperature | 273 K |
Ambient diffraction temperature | 273 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0965 |
Weighted residual factors for all reflections included in the refinement | 0.2731 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7225354.cif |
183146 | 2016-05-28 | cif/ Adding structures of 7225352, 7225353, 7225354 via cif-deposit CGI script. |
7225354.cif |
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Users of the data should acknowledge the original authors of the
structural data.