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Information card for entry 2010665
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| Coordinates | 2010665.cif |
|---|---|
| Structure factors | 2010665.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1H,9H-5-oxa-4-azacyclo- penta[c]indene |
|---|---|
| Formula | C12 H15 N O |
| Calculated formula | C12 H15 N O |
| SMILES | O1N=C2[C@@]3([C@]1([C@H]1C=C[C@@H]3C1)C)CCC2.O1N=C2[C@]3([C@@]1([C@@H]1C=C[C@H]3C1)C)CCC2 |
| Title of publication | 2,3,3a,4,5a,6,7,8-Octahydro-5a-methyl-6,9-methano-1<i>H</i>,9<i>H</i>-5-oxa-4-azacyclopenta[<i>c</i>]indene |
| Authors of publication | Tam, William; Handerson, Sean; Ferguson, George |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | e71 - e71 |
| a | 7.64 ± 0.002 Å |
| b | 12.7121 ± 0.0014 Å |
| c | 10.2205 ± 0.0007 Å |
| α | 90° |
| β | 91.668 ± 0.011° |
| γ | 90° |
| Cell volume | 992.2 ± 0.3 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0668 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.