Information card for entry 7160301

Structure parameters

• Formula: C48 H40 F4 N4
• Calculated formula: C48 H40 F4 N4
• Title of publication: Submicromolar fluorescence 'turn-on' detection of fluoride anions using <i>meso</i>-(tetra-aryl) calix[4]pyrrole.
• Authors of publication: Roy, Anik; Dutta, Ranjan; Halder, Dibakar; Mandal, Koushik; Kundu, Somenath; Hossain, Maidul; Saha, Indrajit; Lee, Chang-Hee
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1209 - 1214
• a: 9.3994 ± 0.0003 Å
• b: 9.7222 ± 0.0004 Å
• c: 11.2104 ± 0.0005 Å
• α: 73.502 ± 0.002°
• β: 71.94 ± 0.002°
• γ: 84.606 ± 0.002°
• Cell volume: 933.85 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No