Information card for entry 7240859

Structure parameters

• Formula: C38 H24 F9 N5 O2
• Calculated formula: C38 H24 F9 N5 O2
• Title of publication: A3- and A2B-fluorocorroles: synthesis, X-ray characterization and antiviral activity evaluation against human cytomegalovirus infection
• Authors of publication: Kappler-Gratias, Sandrine; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Bystricky, Kerstin; Gros, Claude P.; Gallardo, Franck
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2020
• a: 7.3448 ± 0.0002 Å
• b: 15.9784 ± 0.0005 Å
• c: 28.5025 ± 0.0009 Å
• α: 104.448 ± 0.002°
• β: 91.342 ± 0.002°
• γ: 93.085 ± 0.002°
• Cell volume: 3232.17 ± 0.17 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0925
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No