Information card for entry 2313004

Structure parameters

• Common name: Neta1R (Neta Caspin) Fisetin dihydrate
• Chemical name: 2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4<i>H</i>-1-benzopyran-4-one dihydrate
• Formula: C15 H14 O8
• Calculated formula: C15 H14 O8
• Title of publication: Crystal structures of fisetin dihydrate and luteolin monohydrate: crystallization from ethanol-water mixtures.
• Authors of publication: Caspin, Neta; Fridman, Natalia; Shpigelman, Avi
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 866 - 870
• a: 9.0785 ± 0.0007 Å
• b: 4.7162 ± 0.0005 Å
• c: 15.3572 ± 0.0018 Å
• α: 90°
• β: 92.369 ± 0.009°
• γ: 90°
• Cell volume: 656.97 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No