Information card for entry 2313005

Structure parameters

• Common name: Neta3R (Neta Caspin) Luteolin monohydrate
• Chemical name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4<i>H</i>-chromen-4-one monohydrate
• Formula: C15 H12 O7
• Calculated formula: C15 H12 O7
• 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: 6.19 ± 0.0004 Å
• b: 6.19 ± 0.0004 Å
• c: 67.344 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2580.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No