Information card for entry 7159117

Structure parameters

• Chemical name: (1E,4Z,6E)-5-hydroxy-1,7-bis(4-methoxyphenyl)hepta-1,4,6-trien-3-one
• Formula: C21 H20 O4
• Calculated formula: C21 H20 O4
• Title of publication: Curcumin-based molecular probes for fluorescence imaging of fungi
• Authors of publication: Ferreira, Joana R. M.; Alves, Mariana; Sousa, Bárbara; Vieira, Sandra I.; Silva, Artur M. S.; Guieu, Samuel; Cunha, Ângela; Nunes da Silva, Raquel
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 7
• Pages of publication: 1531 - 1536
• a: 11.691 ± 0.0019 Å
• b: 10.8177 ± 0.0018 Å
• c: 13.581 ± 0.002 Å
• α: 90°
• β: 99.087 ± 0.005°
• γ: 90°
• Cell volume: 1696 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0646
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No