Information card for entry 7161008

Structure parameters

• Formula: C24 H24 N4 O
• Calculated formula: C24 H26 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: 12.7923 ± 0.0002 Å
• b: 5.6956 ± 0.0001 Å
• c: 15.1879 ± 0.0002 Å
• α: 90°
• β: 109.498 ± 0.002°
• γ: 90°
• Cell volume: 1043.13 ± 0.03 ų
• Cell temperature: 293.79 ± 0.1 K
• Ambient diffraction temperature: 293.79 ± 0.1 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: 0.0583
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No