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Information card for entry 2012152
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| Coordinates | 2012152.cif |
|---|---|
| Structure factors | 2012152.hkl |
| Original IUCr paper | HTML |
| Formula | C44 H56 O8 |
|---|---|
| Calculated formula | C44 H56 O8 |
| SMILES | O(c1c2cc(cc1COCc1c(OC)c(ccc1)COCc1c(OC)c(cc(c1)C(C)(C)C)COCc1c(OC)c(ccc1)COC2)C(C)(C)C)C |
| Title of publication | Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes |
| Authors of publication | Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | 978 - 981 |
| a | 23.232 ± 0.0015 Å |
| b | 9.0186 ± 0.0003 Å |
| c | 19.6065 ± 0.0012 Å |
| α | 90° |
| β | 108.819 ± 0.002° |
| γ | 90° |
| Cell volume | 3888.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1171 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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