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Information card for entry 1572950
Preview
| Coordinates | 1572950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-(3,4,5-Triphenylphenyl)acetic acid acetonitrile monosolvate |
|---|---|
| Formula | C28 H23 N O2 |
| Calculated formula | C28 H23 N O2 |
| Authors of publication | Seidel, Pierre; Gottwald, Franziska; Meier, Eric; Mazik, Monika |
| Year of publication | 2024 |
| a | 10.0737 ± 0.0005 Å |
| b | 11.1039 ± 0.0006 Å |
| c | 11.5835 ± 0.0006 Å |
| α | 107.025 ± 0.004° |
| β | 114.263 ± 0.004° |
| γ | 93.898 ± 0.004° |
| Cell volume | 1102.82 ± 0.11 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 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 | 0.0551 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0993 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295622 (current) | 2024-10-25 | cif/ Adding structures of 1572950 via cif-deposit CGI script. |
1572950.cif |
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