Information card for entry 1552646

Structure parameters

• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: O[C@]12CCN(C(=O)/C=C/c3ccccc3)[C@@H]2CC(=O)C=C1
• Title of publication: Amides and Flavonoids from the Fruit and Leaf Extracts of Melodorum siamensis.
• Authors of publication: Jaidee, Wuttichai; Andersen, Raymond J.; Chavez, Miguel A. G.; Wang, Yan A.; Patrick, Brian O.; Pyne, Stephen G.; Muanprasat, Chatchai; Borwornpinyo, Suparerk; Laphookhieo, Surat
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 283 - 292
• a: 7.6392 ± 0.0007 Å
• b: 8.9874 ± 0.0008 Å
• c: 20.4621 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.9 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No