Information card for entry 7158424

Structure parameters

• Formula: C21 H24 Se2
• Calculated formula: C21 H24 Se2
• Title of publication: Glutathione peroxidase mimics based on conformationally-restricted, <i>peri</i>-like, 4,5-disubstituted fluorene dichalcogenides.
• Authors of publication: Jagdev, Kesar; Tanini, Damiano; Lownes, Jack W.; Figliola, Carlotta; Male, Louise; Capperucci, Antonella; Grainger, Richard S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 48
• Pages of publication: 10565 - 10569
• a: 9.1936 ± 0.0002 Å
• b: 12.7735 ± 0.0003 Å
• c: 17.6722 ± 0.0004 Å
• α: 73.363 ± 0.002°
• β: 79.2638 ± 0.0018°
• γ: 71.888 ± 0.002°
• Cell volume: 1879.11 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No