Information card for entry 7134878

Structure parameters

• Formula: C9 H11 N O
• Calculated formula: C9 H11 N O
• Title of publication: Diastereoselective synthesis of 1,4-diaryl piperazines through the dimerization of 3-aminooxetanes with cooperative indium-diphenyl phosphate catalysis.
• Authors of publication: Cheng, Long; Nian, Cuicui; Han, Zhengyu; Sun, Jianwei; Huang, Hai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 71
• Pages of publication: 13477 - 13480
• a: 24.2502 ± 0.0004 Å
• b: 24.2502 ± 0.0004 Å
• c: 7.1744 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3653.82 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No