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CIF Information Card
Information card for 7052604
7052603 << 7052604 >> 7052605Preview
|
Coordinates |
7052604.cif |
Structure parameters
| Formula | - C15 H23 Br2 N2 O3.5 - |
| Calculated formula | - C15 H20 Br2 N2 O2 - |
| 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 | 9.339 ± 0.008 Å |
| b | 15.689 ± 0.014 Å |
| c | 12.461 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1826 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P b c n |
| Hall symmetry space group | -P 2n 2ab |
| Residual factor for all reflections | 0.055 |
| Residual factor for observed reflections | 0.0327 |
| Weighted residual factors for the observed reflections | 0.0772 |
| Weighted residual factors for all reflections included in the refinement | 0.082 |
| Goodness-of-fit parameter for observed reflections | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |