Information card for entry 4514439

Structure parameters

• Formula: C17 H25 N O
• Calculated formula: C17 H25 N O
• Title of publication: H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios
• Authors of publication: Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 10294
• a: 11.3195 ± 0.0011 Å
• b: 10.3547 ± 0.001 Å
• c: 12.7097 ± 0.0012 Å
• α: 90°
• β: 101.868 ± 0.0015°
• γ: 90°
• Cell volume: 1457.9 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No