Information card for entry 7129982

Structure parameters

• Formula: C56 H48 Br2 N2 O4
• Calculated formula: C56 H48 Br2 N2 O4
• Title of publication: Catalytic asymmetric transformation of nitrones and allenes to dihydropyridoindoles via chiral N,N′-dioxide/cobalt(ii) catalysis
• Authors of publication: Liu, Mohuizi; Xie, Lihua; Hou, Liuzhen; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.505 ± 0.003 Å
• b: 8.2528 ± 0.0015 Å
• c: 24.175 ± 0.005 Å
• α: 90°
• β: 92.468 ± 0.006°
• γ: 90°
• Cell volume: 2293.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No