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Information card for entry 7240196
Preview
| Coordinates | 7240196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 O4 |
|---|---|
| Calculated formula | C24 H22 O4 |
| 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 | 5.7523 ± 0.0002 Å |
| b | 19.3159 ± 0.0007 Å |
| c | 8.7036 ± 0.0004 Å |
| α | 90° |
| β | 97.524 ± 0.004° |
| γ | 90° |
| Cell volume | 958.74 ± 0.07 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1144 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
7240196.cif |
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Users of the data should acknowledge the original authors of the
structural data.