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Information card for entry 4126218
Preview
| Coordinates | 4126218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H74 N2 O11 |
|---|---|
| Calculated formula | C74 H74 N2 O11 |
| Title of publication | Molecular Recognition and Chirality Sensing of Epoxides in Water Using Endo-Functionalized Molecular Tubes. |
| Authors of publication | Wang, Li-Li; Chen, Zhao; Liu, Wei-Er; Ke, Hua; Wang, Sheng-Hua; Jiang, Wei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 12.5032 ± 0.0007 Å |
| b | 16.797 ± 0.001 Å |
| c | 17.5538 ± 0.001 Å |
| α | 78.622 ± 0.003° |
| β | 82.793 ± 0.003° |
| γ | 69.513 ± 0.003° |
| Cell volume | 3379.2 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1596 |
| Residual factor for significantly intense reflections | 0.1223 |
| Weighted residual factors for significantly intense reflections | 0.3754 |
| Weighted residual factors for all reflections included in the refinement | 0.4025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.449 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197853 (current) | 2017-06-16 | cif/ Adding structures of 4126218 via cif-deposit CGI script. |
4126218.cif |
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Users of the data should acknowledge the original authors of the
structural data.