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Information card for entry 7242747
Preview
| Coordinates | 7242747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H49 N3 O2 |
|---|---|
| Calculated formula | C51 H49 N3 O2 |
| Title of publication | Understanding the remarkable difference in liquid crystal behaviour between secondary and tertiary amides: the synthesis and characterisation of new benzanilide-based liquid crystal dimers. |
| Authors of publication | Imrie, Corrie T.; Strachan, Grant James; Harrison, William T.; Storey, John M. D. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2021 |
| a | 21.61054 ± 0.00014 Å |
| b | 13.8187 ± 0.00007 Å |
| c | 28.98487 ± 0.00019 Å |
| α | 90° |
| β | 110.27 ± 0.0007° |
| γ | 90° |
| Cell volume | 8119.7 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.1892 |
| Residual factor for significantly intense reflections | 0.1861 |
| Weighted residual factors for significantly intense reflections | 0.4471 |
| Weighted residual factors for all reflections included in the refinement | 0.4545 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.096 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264850 (current) | 2021-05-05 | cif/ Adding structures of 7242746, 7242747 via cif-deposit CGI script. |
7242747.cif |
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Users of the data should acknowledge the original authors of the
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