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Information card for entry 2206839
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| Coordinates | 2206839.cif |
|---|---|
| Structure factors | 2206839.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2E,4E)-8-Methyl-2,4-bis-thiophen-3-ylmethylene-8-azabicyclo[3.2.1]octan-3-one |
|---|---|
| Formula | C18 H17 N O S2 |
| Calculated formula | C18 H17 N O S2 |
| Title of publication | (2<i>E</i>,4<i>E</i>)-8-Methyl-2,4-bis(3-thienylmethylene)-8-azabicyclo[3.2.1]octan-3-one |
| Authors of publication | Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3445 - o3446 |
| a | 19.3783 ± 0.0004 Å |
| b | 10.568 ± 0.0006 Å |
| c | 7.3257 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1500.23 ± 0.11 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0363 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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