Information card for entry 7231302

Structure parameters

• Formula: C21 H29 N O3 S
• Calculated formula: C21 H29 N O3 S
• Title of publication: Synthesis of β-alkoxy-N-protected phenethylamines via one-pot copper-catalyzed aziridination and ring opening
• Authors of publication: Saavedra-Olavarría, Jorge; Madrid-Rojas, Matías; Almodovar, Iriux; Hermosilla-Ibáñez, Patricio; Pérez, Edwin G.
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 49
• Pages of publication: 27919
• a: 9.906 ± 0.003 Å
• b: 20.872 ± 0.005 Å
• c: 10.617 ± 0.003 Å
• α: 90°
• β: 102.655 ± 0.003°
• γ: 90°
• Cell volume: 2141.8 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.2161
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No