Information card for entry 4038925

Structure parameters

• Formula: C30 H43 N3 O3
• Calculated formula: C30 H43 N3 O3
• Title of publication: Synthetic Factors Governing Access to Tris(β-diketimine) Cyclophanes versus Tripodal Tri-β-aminoenones
• Authors of publication: Eaton, Mary C.; Knight, Brian J.; Brahmi, Robin; Ferreira, Ricardo B.; Catalano, Vincent J.; Rheingold, Arnold L.; Ghiviriga, Ion; Murray, Leslie J.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 11.406 ± 0.002 Å
• b: 11.952 ± 0.002 Å
• c: 12.014 ± 0.002 Å
• α: 87.77 ± 0.03°
• β: 64.09 ± 0.03°
• γ: 89.1 ± 0.03°
• Cell volume: 1472.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No