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Information card for entry 4127217
Preview
| Coordinates | 4127217.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H116 B6 F24 N24 O7 Zn3 |
|---|---|
| Calculated formula | C96 H116 B6 F24 N24 O7 Zn3 |
| Title of publication | A Molecular Trefoil Knot From a Trimeric Circular Helicate. |
| Authors of publication | Zhang, Liang; August, David; Zhong, Jiankang; Whitehead, George F. S.; Vitorica-Yrezabal, Inigo J; Leigh, David A. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| a | 19.5521 ± 0.0008 Å |
| b | 18.7147 ± 0.0009 Å |
| c | 32.1206 ± 0.0016 Å |
| α | 90° |
| β | 105.355 ± 0.005° |
| γ | 90° |
| Cell volume | 11333.8 ± 1 Å3 |
| Cell temperature | 150.05 ± 0.1 K |
| Ambient diffraction temperature | 150.05 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1018 |
| Residual factor for significantly intense reflections | 0.0722 |
| Weighted residual factors for significantly intense reflections | 0.1969 |
| Weighted residual factors for all reflections included in the refinement | 0.2297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207029 (current) | 2018-03-21 | cif/ Adding structures of 4127217 via cif-deposit CGI script. |
4127217.cif |
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