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Information card for entry 2011315
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| Coordinates | 2011315.cif |
|---|---|
| Structure factors | 2011315.hkl |
| Original IUCr paper | HTML |
| Common name | benzo,cis-cyclohexano-14-crown-4 |
|---|---|
| Formula | C18 H26 O4 |
| Calculated formula | C18 H26 O4 |
| SMILES | O1c2c(OCCCO[C@H]3[C@@H](OCCC1)CCCC3)cccc2 |
| Title of publication | Benzo-<i>cis</i>-cyclohexano-14-crown-4 and its lithium thiocyanate complex |
| Authors of publication | Bryan, Jeffrey C.; Sachleben, Richard A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1104 - 1106 |
| a | 9.9888 ± 0.0011 Å |
| b | 15.5672 ± 0.0009 Å |
| c | 10.905 ± 0.0009 Å |
| α | 90° |
| β | 107.841 ± 0.007° |
| γ | 90° |
| Cell volume | 1614.2 ± 0.2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.055 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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