Information card for entry 4513135

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: O1c2cc(/C=C/C=C/C(=O)N3CCCCC3)ccc2OC1
• Title of publication: The Bioenhancer Piperine is at Least Trimorphic
• Authors of publication: Pfund, Laura Y.; Chamberlin, Brianna L.; Matzger, Adam J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2047
• a: 16.651 ± 0.0016 Å
• b: 9.5153 ± 0.0007 Å
• c: 18.0362 ± 0.0013 Å
• α: 90°
• β: 99.587 ± 0.007°
• γ: 90°
• Cell volume: 2817.7 ± 0.4 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0859
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No