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Information card for entry 4134639
Preview
| Coordinates | 4134639.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H76 Co N12 O22 |
|---|---|
| Calculated formula | C68 H60 Co N12 O22 |
| Title of publication | Regulating the Structures of Self-Assembled Mechanically Interlocked Moleculecular Constructs via Dianion Precursor Substituent Effects. |
| Authors of publication | Chen, Xu-Lang; Shen, Yun-Jia; Gao, Chao; Yang, Jian; Sun, Xin; Zhang, Xin; Yang, Yu-Dong; Wei, Gong-Ping; Xiang, Jun-Feng; Sessler, Jonathan L.; Gong, Han-Yuan |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 10.617 ± 0.002 Å |
| b | 12.641 ± 0.003 Å |
| c | 13.803 ± 0.003 Å |
| α | 106.8 ± 0.03° |
| β | 104.68 ± 0.03° |
| γ | 93.65 ± 0.03° |
| Cell volume | 1696.7 ± 0.8 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.1162 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.2264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250547 (current) | 2020-04-10 | cif/ Adding structures of 4134639 via cif-deposit CGI script. |
4134639.cif |
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Users of the data should acknowledge the original authors of the
structural data.