Information card for entry 1576240

Structure parameters

• Chemical name: (R)-4-(3-chlorophenyl)pyrrolidin-2-one
• Formula: C10 H10 Cl N O
• Calculated formula: C10 H10 Cl N O
• Title of publication: Synthesis of chiral lactams by asymmetric nitrogen insertion
• Authors of publication: Hammes, Jasmin; Mañas, Clara; Pedada, Abhilash; Arnold, Marlene; Wahl, Johannes M.
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.118 ± 0.003 Å
• b: 6.0259 ± 0.0006 Å
• c: 15.268 ± 0.003 Å
• α: 90°
• β: 107.408 ± 0.016°
• γ: 90°
• Cell volume: 888.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No