Information card for entry 7161009

Structure parameters

• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• Title of publication: Regio- and stereoselective ring-opening of aziridines: a click chemistry approach to chiral amino alcohols and triazole-modified compounds.
• Authors of publication: Szymańska, Julia; Palusiak, Marcin; Rybarczyk-Pirek, Agnieszka J; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2254 - 2260
• a: 5.76272 ± 0.00005 Å
• b: 12.83 ± 0.0001 Å
• c: 17.7996 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1316.03 ± 0.017 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No