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Information card for entry 4134556
Preview
| Coordinates | 4134556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H16 F32 N6.67 O5.33 |
|---|---|
| Calculated formula | C62 H16 F32 N6.66667 O5.33333 |
| Title of publication | Split and Use: Structural Isomers for Diagnosis and Therapy. |
| Authors of publication | Ning, YingYing; Liu, Yi-Wei; Yang, Zi-Shu; Yao, Yuhang; Kang, Lei; Sessler, Jonathan L.; Zhang, Jun-Long |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 8.0988 ± 0.0004 Å |
| b | 27.1807 ± 0.0012 Å |
| c | 20.3015 ± 0.0009 Å |
| α | 90° |
| β | 97.604 ± 0.004° |
| γ | 90° |
| Cell volume | 4429.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1094 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.3082 |
| Weighted residual factors for all reflections included in the refinement | 0.3229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249746 (current) | 2020-03-27 | cif/ Adding structures of 4134556 via cif-deposit CGI script. |
4134556.cif |
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Users of the data should acknowledge the original authors of the
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