Information card for entry 7131686

Structure parameters

• Formula: C58 H74 Cl F12 N5 O
• Calculated formula: C58 H72 Cl F12 N5 O
• Title of publication: Transmembrane fluoride anion transport by <i>meso</i>-3,5-bis(trifluoromethyl)phenyl picket calix[4]pyrrole.
• Authors of publication: Patra, Ashoke Kumar; Srimayee, Soumya; Halder, Dibakar; Roy, Anik; Mukherjee, Souvik; Kundu, Somenath; Hossain, Maidul; Saha, Rajat; Lee, Chang-Hee; Manna, Debasis; Saha, Indrajit
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 48
• Pages of publication: 7407 - 7410
• a: 21.6302 ± 0.0008 Å
• b: 13.5934 ± 0.0005 Å
• c: 20.6884 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6083 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2095
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2255
• Weighted residual factors for all reflections included in the refinement: 0.2847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No