Information card for entry 7718978

Structure parameters

• Chemical name: 5-hydroxy-7-acetoxy-2-(4-[acetoxy]phenyl)-4H-1-benzopyran-4-one
• Formula: C19 H14 O7
• Calculated formula: C19 H14 O7
• Title of publication: Oxidorhenium(V) complexes of apigenin: a rare example of catalysis with <i>O</i>,<i>O</i>-bidentate ligands obtained from a naturally renewable resource.
• Authors of publication: Milovanović, Milan R; Nikolić, Stefan R; Dupé, Antoine; Schachner, Jörg A; Mihajlović, Ljiljana E
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 11047 - 11055
• a: 17.3307 ± 0.0003 Å
• b: 4.9939 ± 0.0001 Å
• c: 19.0125 ± 0.0003 Å
• α: 90°
• β: 105.164 ± 0.002°
• γ: 90°
• Cell volume: 1588.2 ± 0.05 ų
• Cell temperature: 100 ± 0.13 K
• Ambient diffraction temperature: 100 ± 0.13 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No