Information card for entry 7161000

Structure parameters

• Formula: C14 H21 N O
• Calculated formula: C14 H21 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; Wiosna-Sałyga, Gabriela; Rachwalski, Michał; Pieczonka, Adam Marek
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 8.0802 ± 0.0005 Å
• b: 9.339 ± 0.0004 Å
• c: 9.4648 ± 0.0006 Å
• α: 90°
• β: 111.201 ± 0.007°
• γ: 90°
• Cell volume: 665.88 ± 0.07 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No