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Information card for entry 2011482
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| Coordinates | 2011482.cif |
|---|---|
| Structure factors | 2011482.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4-o-tolyl-3-azabicyclo[3.3.1]nonan-9-one |
|---|---|
| Formula | C22 H25 N O |
| Calculated formula | C22 H25 N O |
| SMILES | N1[C@@H]([C@H]2C(=O)[C@@H]([C@@H]1c1c(C)cccc1)CCC2)c1c(cccc1)C |
| Title of publication | 2,4-Bis(<i>o</i>-tolyl)-3-azabicyclo[3.3.1]nonan-9-one |
| Authors of publication | Vijayalakshmi, L.; Parthasarathi, V.; Venkatraj, M.; Jeyaraman, R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1240 - 1241 |
| a | 7.692 ± 0.003 Å |
| b | 16.825 ± 0.003 Å |
| c | 13.7247 ± 0.0018 Å |
| α | 90° |
| β | 99.428 ± 0.018° |
| γ | 90° |
| Cell volume | 1752.2 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.086 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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