Information card for entry 7133446

Structure parameters

• Formula: C48 H60 Br Cl4 N4 O2
• Calculated formula: C48 H60 Br Cl4 N4 O2
• Title of publication: Synthesis of sterically congested unsymmetrical 1,2-dicarbonyl radicals through a stepwise approach.
• Authors of publication: Song, Yuna; Song, Hayoung; Choi, Yunseop; Seo, Jongcheol; Lee, Eunsung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 62
• Pages of publication: 8043 - 8046
• a: 12.433 ± 0.003 Å
• b: 20.341 ± 0.004 Å
• c: 18.392 ± 0.004 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 4650.8 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.116
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.248
• Weighted residual factors for all reflections included in the refinement: 0.285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No