Information card for entry 1576877

Structure parameters

• Formula: C16 H23 N3 O2
• Calculated formula: C16 H23 N3 O2
• Title of publication: Biginelli Dihydropyrimidines: A Tunable Class of Alkyl Radical Precursors
• Authors of publication: Ratnam, Shahilan; Unone, Shreya; Alia, Nabeel; Hafeneger, Enyu Denny; Janssen-Müller, Daniel
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 18.295 ± 0.0005 Å
• b: 10.1722 ± 0.0003 Å
• c: 16.2289 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.2 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No