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Information card for entry 1556099
Preview
| Coordinates | 1556099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H62 O7 |
|---|---|
| Calculated formula | C49 H62 O7 |
| SMILES | c12cc3Cc4cc(cc(Cc5cc(cc6Cc7cc(cc(Cc(c1)c3OCCOCCOCCOCCOc56)c7O)C(C)(C)C)CCCCC2)c4O)C(C)(C)C |
| Title of publication | Calix Crowns Derived from para-Bridged Calix |
| Authors of publication | Stephan, ?; Gloe, ?; Paulus, ?; Saadioui, ?; Böhmer, V, ? |
| Journal of publication | Organic letters |
| Year of publication | 2000 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | 839 - 841 |
| a | 11.179 ± 0.001 Å |
| b | 13.411 ± 0.002 Å |
| c | 14.382 ± 0.001 Å |
| α | 84.26 ± 0.01° |
| β | 83.38 ± 0.02° |
| γ | 85.51 ± 0.01° |
| Cell volume | 2126.2 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1416 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.105 |
| Weighted residual factors for all reflections included in the refinement | 0.1303 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.867 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243462 (current) | 2019-11-26 | cif/ Adding structures of 1556099 via cif-deposit CGI script. |
1556099.cif |
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Users of the data should acknowledge the original authors of the
structural data.