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Information card for entry 4127940
Preview
| Coordinates | 4127940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C84 H80 F24 N6 O12 P4 |
|---|---|
| Calculated formula | C84 H80 F24 N6 O12 P4 |
| Title of publication | Stabilizing the Naphthalenediimide Radical within a Tetracationic Cyclophane. |
| Authors of publication | Jiao, Tianyu; Cai, Kang; Nelson, Jordan N.; Jiao, Yang; Qiu, Yunyan; Wu, Guangcheng; Zhou, Jiawang; Cheng, Chuyang; Shen, Dengke; Feng, Yuanning; Liu, Zhichang; Wasielewski, Michael R.; Stoddart, J. Fraser; Li, Hao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 42 |
| Pages of publication | 16915 - 16922 |
| a | 44.908 ± 0.002 Å |
| b | 17.6979 ± 0.0008 Å |
| c | 27.658 ± 0.0012 Å |
| α | 90° |
| β | 113.317 ± 0.002° |
| γ | 90° |
| Cell volume | 20186.7 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0962 |
| Residual factor for significantly intense reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.2379 |
| Weighted residual factors for all reflections included in the refinement | 0.2575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221098 (current) | 2019-11-02 | cif/ Adding structures of 4127940 via cif-deposit CGI script. |
4127940.cif |
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Users of the data should acknowledge the original authors of the
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