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Information card for entry 2008070
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| Coordinates | 2008070.cif |
|---|---|
| Structure factors | 2008070.hkl |
| Original IUCr paper | HTML |
| Chemical name | 25,27-dihydroxyethoxy-26,28-dipropoxy-tert-butyl-calix[4]arene |
|---|---|
| Formula | C54 H76 O6 |
| Calculated formula | C54 H76 O6 |
| Title of publication | 25,27-Dihydroxyethoxy-26,28-dipropoxy-<i>tert</i>-butylcalix[4]arene |
| Authors of publication | Nissinen, Maija; Parzuchowski, Pawel; Böhmer, Volker; Rokicki, Gabriel; Rissanen, Kari |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 104 - 106 |
| a | 15.593 ± 0.003 Å |
| b | 15.596 ± 0.009 Å |
| c | 20.041 ± 0.006 Å |
| α | 90° |
| β | 95.12 ± 0.02° |
| γ | 90° |
| Cell volume | 4854 ± 3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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