Information card for entry 1577052

Structure parameters

• Formula: C12 H13.5 F9 N3 P1.5
• Calculated formula: C12 H13.5 F9 N3 P1.5
• Title of publication: One System, Three Functions: An Electroactive Reconfigurable Organic Receptor for Adaptive Binding, Information Encoding, and Metal-Free Oxidation
• Authors of publication: Das, Rajorshi; Seethapathy, Logeshwari; M, Rohith; Hazra, Chinmoy Kumar; Samanta, Jayanta; Pramanik, Susnata
• Journal of publication: Materials Horizons
• Year of publication: 2026
• a: 18.329 ± 0.007 Å
• b: 18.329 ± 0.007 Å
• c: 8.653 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2517.5 ± 1.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No