Information card for entry 7064046

Structure parameters

• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• Title of publication: Reversible fluorescence redox switching in activated carbonyl-functionalized fluorophores through the conversion of α-keto esters and α-hydroxy esters
• Authors of publication: Sivadas, Deepanjaly K.; Ravi, Sasikala; Padmanaban, Ramanathan; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 16075 - 16085
• a: 17.385 ± 0.004 Å
• b: 9.632 ± 0.0019 Å
• c: 21.886 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3664.9 ± 1.3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No