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Information card for entry 4134640
Preview
| Coordinates | 4134640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H55 Cl8 N11 O16 |
|---|---|
| Calculated formula | C57 H55 Cl8 N11 O16 |
| 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 | 8.767 ± 0.0018 Å |
| b | 17.488 ± 0.003 Å |
| c | 20.607 ± 0.004 Å |
| α | 97.49 ± 0.03° |
| β | 96.84 ± 0.03° |
| γ | 93.45 ± 0.03° |
| Cell volume | 3100.9 ± 1.1 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 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 | 0.1233 |
| Residual factor for significantly intense reflections | 0.0991 |
| Weighted residual factors for significantly intense reflections | 0.1996 |
| Weighted residual factors for all reflections included in the refinement | 0.2145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250548 (current) | 2020-04-10 | cif/ Adding structures of 4134640 via cif-deposit CGI script. |
4134640.cif |
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Users of the data should acknowledge the original authors of the
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