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Information card for entry 2022915
Preview
| Coordinates | 2022915.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bis-urea derivative based on A1/A2-functionalized pillar[5]arene dimethylformamide monosolvate |
|---|---|
| Formula | C66 H77 N5 O13 |
| Calculated formula | C66 H77 N5 O13 |
| Title of publication | Crystal structure and supra-molecular features of a bis-urea-functionalized pillar[5]arene. |
| Authors of publication | Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1044 - 1048 |
| a | 14.7726 ± 0.0009 Å |
| b | 16.2952 ± 0.0011 Å |
| c | 26.1406 ± 0.0015 Å |
| α | 90° |
| β | 98.791 ± 0.007° |
| γ | 90° |
| Cell volume | 6218.7 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1302 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1267 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.931 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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