Information card for entry 7134075

Structure parameters

• Formula: C12 H11 N O
• Calculated formula: C12 H11 N O
• Title of publication: Two-step continuous flow-driven synthesis of 1,1-cyclopropane aminoketones.
• Authors of publication: Velichko, Viktoria; Moi, Davide; Soddu, Francesco; Scipione, Roberto; Podda, Enrico; Luridiana, Alberto; Cambie, Dario; Secci, Francesco; Cabua, Maria Chiara
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• a: 7.4979 ± 0.0005 Å
• b: 11.2676 ± 0.0006 Å
• c: 22.489 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No