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CIF Information Card
Information card for 7052606
7052605 << 7052606 >> 7052607Preview
|
Coordinates |
7052606.cif |
Structure parameters
| Formula | - C66 H104 Br2 N34 O34 - |
| Calculated formula | - C66 H72 Br2.0013 N34 O18 - |
| Title of publication | Host‒guest complexes of cucurbit[8]uril with some pentaerythritol derivative guests |
| Authors of publication | Li, Xian-Mei; Fan, Fan; Lu, Jing-Song; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang; Tao, Zhu; Lawrance, Geofferey A.; Wei, Gang |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 5 |
| Pages of publication | 1088 |
| a | 18.139 ± 0.005 Å |
| b | 21.311 ± 0.005 Å |
| c | 22.34 ± 0.006 Å |
| α | 90° |
| β | 90.915 ± 0.003° |
| γ | 90° |
| Cell volume | 8635 ± 4 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.077 |
| Residual factor for observed reflections | 0.0599 |
| Weighted residual factors for the observed reflections | 0.1571 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for observed reflections | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |