Information card for entry 7161005

Structure parameters

• Formula: C13 H20 N4 O
• Calculated formula: C13 H20 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: 6.7627 ± 0.0001 Å
• b: 12.3209 ± 0.0002 Å
• c: 17.7941 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.65 ± 0.04 ų
• Cell temperature: 294.23 ± 0.1 K
• Ambient diffraction temperature: 294.23 ± 0.1 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: 0.0377
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No