Information card for entry 1567584

Structure parameters

• Formula: C69 H63 F18 N8 P3
• Calculated formula: C69 H57 F18 N8 P3
• Title of publication: A Benzimidazolium-Based Organic Cage with Antimicrobial Activity
• Authors of publication: La Cognata, Sonia; Armentano, Donatella; Marchesi, Nicoletta; Grisoli, Pietro; Pascale, Alessia; Kieffer, Marion; Taglietti, Angelo; Davis, Anthony P.; Amendola, Valeria
• Journal of publication: Chemistry
• Year of publication: 2022
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 855 - 864
• a: 20.9197 ± 0.0002 Å
• b: 14.8105 ± 0.0002 Å
• c: 21.4828 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6656.04 ± 0.13 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 5
• 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: 0.2046
• Residual factor for significantly intense reflections: 0.1627
• Weighted residual factors for significantly intense reflections: 0.4143
• Weighted residual factors for all reflections included in the refinement: 0.4433
• Goodness-of-fit parameter for all reflections included in the refinement: 1.475
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No