Information card for entry 1552647

Structure parameters

• Formula: C17 H19 N O3
• Calculated formula: C17 H19 N O3
• SMILES: O[C@@]12CCN(C(=O)/C=C/c3ccccc3)[C@H]2CC(=O)CC1
• 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: 10.7238 ± 0.001 Å
• b: 7.28 ± 0.0006 Å
• c: 19.487 ± 0.0017 Å
• α: 90°
• β: 97.39 ± 0.005°
• γ: 90°
• Cell volume: 1508.7 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No