Information card for entry 7133448

Structure parameters

• Formula: C38 H56 Cl N4 O3
• Calculated formula: C38 H56 Cl N4 O3
• 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: 11.588 ± 0.002 Å
• b: 18.52 ± 0.004 Å
• c: 17.078 ± 0.003 Å
• α: 90°
• β: 92.11 ± 0.03°
• γ: 90°
• Cell volume: 3662.6 ± 1.2 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: 0.192
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No