Information card for entry 1577350

Structure parameters

• Formula: C11 H10 F N O
• Calculated formula: C11 H10 F N O
• Title of publication: Highly stereoselective synthesis of allylic β-lactams <i>via</i> enzymatic C(sp³)-H amidation.
• Authors of publication: Jafari, Nawal Zahra; Wang, Zheyuan; Chattopadhyay, Anwita; Roy, Satyajit; Fasan, Rudi
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 9223 - 9229
• a: 7.1876 ± 0.00005 Å
• b: 7.88139 ± 0.00005 Å
• c: 33.6858 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1908.24 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No