Information card for entry 7160905

Structure parameters

• Formula: C13 H21 N2 O4 P
• Calculated formula: C13 H21 N2 O4 P
• Title of publication: Green Synthesis of α-Aminophosphonates: From Hydrogen-Bonded Janus Dimers to Pharmaceutical Potential
• Authors of publication: Kholany, Rawda; Mardini, Alaa A.; Shakirova, Ksenia; Islamov, Daut; Gerasimov, Alexander; Klimovitskii, Alexander; Vavilova, Alena A.; Mostovaya, Olga; Gazizova, Asiya; Stoikov, Ivan
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 9.2488 ± 0.0001 Å
• b: 14.7887 ± 0.0001 Å
• c: 11.2074 ± 0.0001 Å
• α: 90°
• β: 95.887 ± 0.001°
• γ: 90°
• Cell volume: 1524.84 ± 0.02 ų
• Cell temperature: 304.06 ± 0.1 K
• Ambient diffraction temperature: 304.06 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No