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Information card for entry 1544656
Preview
| Coordinates | 1544656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [3]rotaxane of cyclo[6]aramides and paraquat derivatives |
|---|---|
| Chemical name | rotaxane-cyclo[6]aramides/paraquat |
| Formula | C216 H292 F12 N20 O36 P2 |
| Calculated formula | C216 H292 F12 N20 O36 P2 |
| Title of publication | Macrocyclic shape-persistency of cyclo[6]aramide results in enhanced multipoint recognition for the highly efficient template-directed synthesis of rotaxanes. |
| Authors of publication | Li, Xiaowei; Yuan, Xiangyang; Deng, Pengchi; Chen, Lixi; Ren, Yi; Wang, Chengyuan; Wu, Lixin; Feng, Wen; Gong, Bing; Yuan, Lihua |
| Journal of publication | Chemical science |
| Year of publication | 2017 |
| Journal volume | 8 |
| Journal issue | 3 |
| Pages of publication | 2091 - 2100 |
| a | 22.928 ± 0.002 Å |
| b | 25.6042 ± 0.0012 Å |
| c | 23.2131 ± 0.0015 Å |
| α | 90° |
| β | 111.03 ± 0.009° |
| γ | 90° |
| Cell volume | 12719.6 ± 1.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1758 |
| Residual factor for significantly intense reflections | 0.1198 |
| Weighted residual factors for significantly intense reflections | 0.3108 |
| Weighted residual factors for all reflections included in the refinement | 0.3386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 196360 (current) | 2017-05-06 | cif/ Updating files of 1544655, 1544656 Original log message: Adding full bibliography for 1544655--1544656.cif. |
1544656.cif |
| 193732 | 2017-03-05 | cif/ Updating files of 1544655, 1544656 Original log message: Adding full bibliography for 1544655--1544656.cif. |
1544656.cif |
| 188636 | 2016-11-23 | cif/ Adding structures of 1544655, 1544656 via cif-deposit CGI script. |
1544656.cif |
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Users of the data should acknowledge the original authors of the
structural data.