Information card for entry 7250710

Structure parameters

• Formula: C30 H52 F N5 O4
• Calculated formula: C30 H52 F N5 O4
• Title of publication: Bis-urea anion receptors: influence of receptor structure and anion nature on binding affinity and stability
• Authors of publication: Hassan, Elsayed; Vinodh, Mickey; Alipour, Fatemeh H.; Al-Azemi, Talal F.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 33
• Pages of publication: 26623 - 26631
• a: 10.0669 ± 0.0016 Å
• b: 8.2576 ± 0.0013 Å
• c: 20.7 ± 0.003 Å
• α: 90°
• β: 91.747 ± 0.007°
• γ: 90°
• Cell volume: 1720 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No