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Information card for entry 7244255
Preview
| Coordinates | 7244255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H14 F4 N2 |
|---|---|
| Calculated formula | C27 H14 F4 N2 |
| SMILES | Fc1c(c(F)c(F)c(c1F)C#Cc1ccc(N(c2ccccc2)c2ccccc2)cc1)C#N |
| Title of publication | D–π–A-type fluorinated tolanes with a diphenylamino group: crystal polymorphism formation and photophysical behavior |
| Authors of publication | Yamada, Shigeyuki; Kobayashi, Kazuki; Morita, Masato; Konno, Tsutomu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 9.8311 ± 0.0003 Å |
| b | 10.2683 ± 0.0003 Å |
| c | 22.2426 ± 0.0005 Å |
| α | 95.086 ± 0.002° |
| β | 100.768 ± 0.002° |
| γ | 95.042 ± 0.002° |
| Cell volume | 2184.59 ± 0.11 Å3 |
| Cell temperature | 297 K |
| Ambient diffraction temperature | 297 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0714 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1229 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272141 (current) | 2022-01-20 | cif/ Adding structures of 7244254, 7244255, 7244256 via cif-deposit CGI script. |
7244255.cif |
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Users of the data should acknowledge the original authors of the
structural data.