Information card for entry 1576878

Structure parameters

• Formula: C15 H24 N2 O2 S
• Calculated formula: C15 H24 N2 O2 S
• 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: 13.3817 ± 0.0007 Å
• b: 9.0674 ± 0.0005 Å
• c: 12.4298 ± 0.0008 Å
• α: 90°
• β: 92.322 ± 0.002°
• γ: 90°
• Cell volume: 1506.96 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No