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Information card for entry 7227911
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| Coordinates | 7227911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | D-Ser?TMeQ[6].Cl.10H2O |
|---|---|
| Chemical name | complex5 |
| Formula | C43 H72 Cl N25 O25 |
| Calculated formula | C43 H52 N25 O24.5 |
| Title of publication | Supramolecular complexes of α,α′,δ,δ′-tetramethyl-cucurbit[6]uril binding with enantiomeric amino acids |
| Authors of publication | Shan, Pei-Hui; Tu, Shi-Chun; Lin, Rui-Lian; Tao, Zhu; Liu, Jing-Xin; Xiao, Xin |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 2168 |
| a | 13.219 ± 0.003 Å |
| b | 17.089 ± 0.004 Å |
| c | 15.467 ± 0.003 Å |
| α | 90° |
| β | 112.608 ± 0.007° |
| γ | 90° |
| Cell volume | 3225.5 ± 1.2 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0901 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.2151 |
| Weighted residual factors for all reflections included in the refinement | 0.2288 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196383 (current) | 2017-05-06 | cif/ Updating files of 7227908, 7227909, 7227910, 7227911, 7227912, 7227913, 7227914 Original log message: Adding full bibliography for 7227908--7227914.cif. |
7227911.cif |
| 194395 | 2017-03-22 | cif/ Adding structures of 7227908, 7227909, 7227910, 7227911, 7227912, 7227913, 7227914 via cif-deposit CGI script. |
7227911.cif |
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Users of the data should acknowledge the original authors of the
structural data.