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Information card for entry 7059051
Preview
| Coordinates | 7059051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H64 N20 O23 |
|---|---|
| Calculated formula | C27 H64 N20 O23 |
| Title of publication | Water and Oxoanion Encapsulation Chemistry in a 1H-Pyrazole azacryptand |
| Authors of publication | Pitarch-Jarque, Javier; Rissanen, Kari; Garcia-Granda, Santiago; Lopera, Alberto; Clares, Maria Paz; García-España, Enrique; Blasco, Salvador |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| a | 19.1317 ± 0.0008 Å |
| b | 13.691 ± 0.0006 Å |
| c | 19.687 ± 0.0008 Å |
| α | 90° |
| β | 114.465 ± 0.002° |
| γ | 90° |
| Cell volume | 4693.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1368 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1472 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227935 (current) | 2019-11-16 | cif/ Adding structures of 7059050, 7059051, 7059052, 7059053, 7059054, 7059055, 7059056 via cif-deposit CGI script. |
7059051.cif |
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Users of the data should acknowledge the original authors of the
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