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Information card for entry 7239411
Preview
| Coordinates | 7239411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H37 N O2 |
|---|---|
| Calculated formula | C52 H37 N O2 |
| Title of publication | Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure |
| Authors of publication | Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 48 |
| Pages of publication | 25758 |
| a | 9.8747 ± 0.0008 Å |
| b | 20.9315 ± 0.0016 Å |
| c | 18.7773 ± 0.0014 Å |
| α | 90° |
| β | 99.001 ± 0.002° |
| γ | 90° |
| Cell volume | 3833.3 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0949 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244688 (current) | 2019-11-28 | cif/ Adding structures of 7239408, 7239409, 7239410, 7239411 via cif-deposit CGI script. |
7239411.cif |
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Users of the data should acknowledge the original authors of the
structural data.