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Information card for entry 7240197
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| Coordinates | 7240197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 O2 |
|---|---|
| Calculated formula | C20 H18 O2 |
| Title of publication | Role of intermolecular interactions and conformational changes in polymorphism and vitrification process of 2,2''-bis-substituted para-terphenyls |
| Authors of publication | Nowok, Andrzej; Kus, Piotr; Dulski, Mateusz; Kusz, Joachim; Ksiazek, Maria; Zubko, Maciej; Szeremeta, Anna; Pawlus, Sebastian |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 11.9012 ± 0.0007 Å |
| b | 17.1124 ± 0.0008 Å |
| c | 7.6347 ± 0.0003 Å |
| α | 90° |
| β | 93.574 ± 0.003° |
| γ | 90° |
| Cell volume | 1551.84 ± 0.13 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 1 K |
| Number of distinct elements | 3 |
| 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 | 0.0699 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1295 |
| Weighted residual factors for all reflections included in the refinement | 0.1387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249718 (current) | 2020-03-26 | cif/ Adding structures of 7240196, 7240197 via cif-deposit CGI script. |
7240197.cif |
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Users of the data should acknowledge the original authors of the
structural data.