Information card for entry 4512853

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: O=C(N1CCCCC1)/C=C/C=C/c1cc2OCOc2cc1
• 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: 23.3983 ± 0.0004 Å
• b: 10.0341 ± 0.0002 Å
• c: 25.8291 ± 0.0018 Å
• α: 90°
• β: 108.545 ± 0.008°
• γ: 90°
• Cell volume: 5749.3 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No