Information card for entry 7159708

Structure parameters

• Chemical name: Compound 1a
• Formula: C37 H25 F12 N7 O5
• Calculated formula: C37 H25 F12 N7 O5
• Title of publication: Molecular clips with spatially proximal urea residues for efficient transmembrane co-transport of H⁺/Cl^- ions.
• Authors of publication: Pradhan, Nyaya Prakash; Namdev, Kavthekar Rupesh; Srivastava, Aasheesh
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 22
• Journal issue: 1
• Pages of publication: 74 - 79
• a: 10.587 ± 0.002 Å
• b: 15.112 ± 0.003 Å
• c: 16.143 ± 0.003 Å
• α: 107.182 ± 0.012°
• β: 102.52 ± 0.013°
• γ: 106.296 ± 0.011°
• Cell volume: 2238.3 ± 0.8 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1494
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No