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Information card for entry 7121816
Preview
| Coordinates | 7121816.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C209 H298 N36 O33 P2 |
|---|---|
| Calculated formula | C208 H255 N36 O33 P2 |
| Title of publication | Chirality sensing of choline derivatives by a triple anion helicate cage through induced circular dichroism. |
| Authors of publication | Zuo, Wei; Huang, Zhe; Zhao, Yanxia; Xu, Wenhua; Liu, Zhihua; Yang, Xiao-Juan; Jia, Chuandong; Wu, Biao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 53 |
| Pages of publication | 7378 - 7381 |
| a | 19.83 ± 0.003 Å |
| b | 22.082 ± 0.004 Å |
| c | 27.967 ± 0.005 Å |
| α | 86.839 ± 0.003° |
| β | 77.529 ± 0.003° |
| γ | 75.246 ± 0.003° |
| Cell volume | 11563 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.1531 |
| Residual factor for significantly intense reflections | 0.1051 |
| Weighted residual factors for significantly intense reflections | 0.2282 |
| Weighted residual factors for all reflections included in the refinement | 0.2449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 228089 (current) | 2019-11-17 | cif/ Updating files of 7121816 Original log message: Adding full bibliography for 7121816.cif. |
7121816.cif |
| 208260 | 2018-06-11 | cif/ Adding structures of 7121816 via cif-deposit CGI script. |
7121816.cif |
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Users of the data should acknowledge the original authors of the
structural data.