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Information card for entry 7117968
Preview
| Coordinates | 7117968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H82 Cl6 N4 O12 |
|---|---|
| Calculated formula | C74 H82 Cl6 N4 O12 |
| Title of publication | Bis-urea macrocycles with a deep cavity |
| Authors of publication | Guobao Huang; Zhenfeng He; Chen-Xi Cai; Fangfang Pan; Dingqiao Yang; Kari Rissanen; Wei Jiang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 15490 |
| a | 11.992 ± 0.004 Å |
| b | 12.642 ± 0.005 Å |
| c | 13.39 ± 0.004 Å |
| α | 78.03 ± 0.03° |
| β | 69.89 ± 0.03° |
| γ | 65.52 ± 0.03° |
| Cell volume | 1729.8 ± 1.1 Å3 |
| Cell temperature | 123.01 ± 0.1 K |
| Ambient diffraction temperature | 123.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3169 |
| Residual factor for significantly intense reflections | 0.111 |
| Weighted residual factors for significantly intense reflections | 0.2243 |
| Weighted residual factors for all reflections included in the refinement | 0.3446 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| 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 |
|---|---|---|---|
| 169192 (current) | 2015-10-20 | cif/ Adding structures of 7117966, 7117967, 7117968, 7117969 via cif-deposit CGI script. |
7117968.cif |
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Users of the data should acknowledge the original authors of the
structural data.