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Information card for entry 2007063
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| Coordinates | 2007063.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3',4'-Dimethoxydihydrocinnamoylpyrrole |
|---|---|
| Formula | C15 H17 N O3 |
| Calculated formula | C15 H17 N O3 |
| SMILES | O=C(n1cccc1)CCc1cc(OC)c(OC)cc1 |
| Title of publication | 1-(3,4-Dimethoxy-α,β-dihydrocinnamoyl)pyrrole, a Novel Amide from <i>Piper brachystachyum</i> |
| Authors of publication | Kumar, Rajesh; Parmar, Virinder S.; Errington, William; Wengel, Jesper; Olsen, Carl E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 363 - 365 |
| a | 10.3731 ± 0.0018 Å |
| b | 5.7516 ± 0.001 Å |
| c | 22.46 ± 0.004 Å |
| α | 90° |
| β | 101.992 ± 0.004° |
| γ | 90° |
| Cell volume | 1310.8 ± 0.4 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 | 0.0642 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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