Information card for entry 1577056

Structure parameters

• Formula: C38 H37 F18 N6 P3
• Calculated formula: C38 H37 F18 N6 P3
• 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: 6.5813 ± 0.0004 Å
• b: 26.6373 ± 0.0016 Å
• c: 24.8163 ± 0.0016 Å
• α: 90°
• β: 91.357 ± 0.002°
• γ: 90°
• Cell volume: 4349.3 ± 0.5 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.1771
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.2935
• Weighted residual factors for all reflections included in the refinement: 0.3254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No