Information card for entry 7160949

Structure parameters

• Formula: C23 H33 B N2 O4
• Calculated formula: C23 H33 B N2 O4
• Title of publication: Regioselective multicomponent synthesis of α-boryl ureas: discovery of a potent main protease inhibitor.
• Authors of publication: Gyasi, Yusif I.; Nyalata, Satyanarayana; Pa, Sophea; Gunasekera, Disni; Vulupala, Veerabhadra R.; Mallampudi, Nagarjun R.; Ramidi, Gopal R.; Xu, Shiqing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 5
• Pages of publication: 1033 - 1041
• a: 7.2002 ± 0.0003 Å
• b: 14.5736 ± 0.0008 Å
• c: 21.7237 ± 0.001 Å
• α: 90°
• β: 97.027 ± 0.004°
• γ: 90°
• Cell volume: 2262.41 ± 0.19 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 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: 0.0521
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No