Information card for entry 7240855

Structure parameters

• Formula: C41 H23 F12 Mn N4 O2
• Calculated formula: C41 H23 F12 Mn N4 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: 7.5565 ± 0.0003 Å
• b: 17.8342 ± 0.0007 Å
• c: 26.0523 ± 0.001 Å
• α: 95.305 ± 0.0016°
• β: 90.3264 ± 0.0016°
• γ: 97.8043 ± 0.0017°
• Cell volume: 3462.9 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No