Information card for entry 7160300

Structure parameters

• Formula: C49 H44 Cs F5 N4 O
• Calculated formula: C49 H44 Cs F5 N4 O
• 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: 9.6024 ± 0.0003 Å
• b: 17.3934 ± 0.0005 Å
• c: 12.9275 ± 0.0004 Å
• α: 90°
• β: 91.642 ± 0.001°
• γ: 90°
• Cell volume: 2158.24 ± 0.11 ų
• Cell temperature: 281 ± 2 K
• Ambient diffraction temperature: 281 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No