Information card for entry 7133447

Structure parameters

• Formula: C51 H62 Cl3 N4 O2
• Calculated formula: C51 H62 Cl3 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: 10.837 ± 0.002 Å
• b: 21.536 ± 0.004 Å
• c: 22.074 ± 0.004 Å
• α: 90°
• β: 97.33 ± 0.03°
• γ: 90°
• Cell volume: 5109.7 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1447
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2906
• Weighted residual factors for all reflections included in the refinement: 0.3294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No