Information card for entry 1566149

Structure parameters

• Formula: C38 H34 N2 O2
• Calculated formula: C38 H34 N2 O2
• Title of publication: Dimerizing Cascades of Enallenamides Reveal the Visible-Light- Promoted Activation of Cumulated C-C Double Bonds
• Authors of publication: Maestri, Giovanni; Serafino, Andrea; Chiminelli, Maurizio; Balestri, Davide; Marchiò, Luciano; Bigi, Franca; Maggi, Raimondo; Malacria, Max
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 19.6653 ± 0.0002 Å
• b: 10.33692 ± 0.0001 Å
• c: 28.5425 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5802.08 ± 0.1 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No