Information card for entry 7250712

Structure parameters

• Formula: C20 H16 N6 O6
• Calculated formula: C20 H16 N6 O6
• 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: 18.4683 ± 0.001 Å
• b: 12.2887 ± 0.0008 Å
• c: 8.9483 ± 0.0006 Å
• α: 90°
• β: 101.464 ± 0.007°
• γ: 90°
• Cell volume: 1990.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No