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Information card for entry 7245534
Preview
| Coordinates | 7245534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H18 Cl F24 I4 N3 |
|---|---|
| Calculated formula | C45 H18 Cl F24 I4 N3 |
| Title of publication | Co-crystallization studies of the syn- and anti-atropisomers of triphenyl-based perfluorinated halogen bond donors with halides |
| Authors of publication | Stoesser, Julian; Engelage, Elric; Huber, Stefan |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 15.6729 ± 0.0002 Å |
| b | 20.0722 ± 0.0004 Å |
| c | 32.1725 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10121.1 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 0.14 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.175 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278090 (current) | 2022-09-23 | cif/ Adding structures of 7245529, 7245530, 7245531, 7245532, 7245533, 7245534, 7245535, 7245536, 7245537, 7245538, 7245539, 7245540, 7245541, 7245542 via cif-deposit CGI script. |
7245534.cif |
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Users of the data should acknowledge the original authors of the
structural data.