Information card for entry 7250928

Structure parameters

• Formula: C16 H12 O4
• Calculated formula: C16 H12 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: 11.2635 ± 0.0006 Å
• b: 4.988 ± 0.0003 Å
• c: 22.0194 ± 0.0012 Å
• α: 90°
• β: 95.119 ± 0.003°
• γ: 90°
• Cell volume: 1232.17 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0522
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No