Information card for entry 2007063

Structure parameters

• 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 ų
• 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