Information card for entry 7250927

Structure parameters

• Formula: C22 H16 O4
• Calculated formula: C22 H16 O4
• Title of publication: Influence of C3′- and C4′-substitutions on fluorescence, crystal packing, and physicochemical properties of flavonol
• Authors of publication: Demidov, Oleksii O.; Chepeleva, Ludmila V.; Shishkina, Svitlana V.; Gladkov, Eugene S.; Kyrychenko, Alexander; Linnik, Rostyslav P.; Roshal, Alexander D.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 36300 - 36318
• a: 19.78 ± 0.002 Å
• b: 4.9187 ± 0.0006 Å
• c: 19.121 ± 0.002 Å
• α: 90°
• β: 115.035 ± 0.007°
• γ: 90°
• Cell volume: 1685.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 172.65 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0972
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No