Information card for entry 1548450

Structure parameters

• Chemical name: (E)-1-(2-amino-4.5-dimethoxyphenyl)-3-(4-methoxyphenyl)-prop-2-en-1-one
• Formula: C18 H19 N O4
• Calculated formula: C18 H19 N O4
• SMILES: O(c1cc(c(N)cc1OC)C(=O)/C=C/c1ccc(OC)cc1)C
• Title of publication: Synthesis, structure, and antioxidant activity of methoxy- and hydroxyl-substituted 2'-aminochalcones
• Authors of publication: Chiara Sulpizio; Alexander Roller; Gerald Giester; Annette Rompel
• Journal of publication: Monatshefte Fur Chemie
• Year of publication: 2016
• Journal volume: 147
• Pages of publication: 1747 - 1757
• a: 13.146 ± 0.0013 Å
• b: 29.598 ± 0.003 Å
• c: 8.1392 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3166.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No