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Information card for entry 1551391
Preview
| Coordinates | 1551391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H196 N17 O13.5 P |
|---|---|
| Calculated formula | C174 H196 N17 O13.5 P |
| Title of publication | A pentagonal cyanostar macrocycle with cyanostilbene CH donors binds anions and forms dialkylphosphate [3]rotaxanes |
| Authors of publication | Semin Lee; Chun-Hsing Chen; Amar H. Flood |
| Journal of publication | Nature Chemistry |
| Year of publication | 2013 |
| Journal volume | 5 |
| Pages of publication | 704 - 710 |
| a | 17.781 ± 0.003 Å |
| b | 18.62 ± 0.003 Å |
| c | 31.361 ± 0.005 Å |
| α | 74.262 ± 0.008° |
| β | 76.314 ± 0.009° |
| γ | 66.192 ± 0.007° |
| Cell volume | 9048 ± 3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.2004 |
| Residual factor for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections | 0.3785 |
| Weighted residual factors for significantly intense reflections | 0.3307 |
| Weighted residual factors for all reflections included in the refinement | 0.3785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215920 (current) | 2019-06-13 | cif/ Adding structures of 1551391 via cif-deposit CGI script. |
1551391.cif |
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