Information card for entry 7161004

Structure parameters

• Formula: C14 H22 N4 O
• Calculated formula: C14 H22 N4 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: 5.993 ± 0.0001 Å
• b: 15.3371 ± 0.0004 Å
• c: 16.5036 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1516.93 ± 0.06 ų
• Cell temperature: 294.8 ± 0.2 K
• Ambient diffraction temperature: 294.8 ± 0.2 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: 0.044
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No