Information card for entry 7251733

Structure parameters

• Formula: C23 H19 F3 N2 O5 S
• Calculated formula: C23 H19 F3 N2 O5 S
• Title of publication: Synthesis and binding studies of two new coumarin-squaramide-based receptors for NSAIDs.
• Authors of publication: Mancini, Luca; Ingargiola, Filippo; Barone, Giampaolo; Rossi, Patrizia; Formica, Mauro; Macedi, Eleonora; Lippi, Martina; Giorgi, Luca; Prodi, Luca; Fusi, Vieri; Paderni, Daniele
• Journal of publication: RSC advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 4116 - 4128
• a: 20.5435 ± 0.0005 Å
• b: 7.984 ± 0.0002 Å
• c: 26.6642 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4373.44 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No