Information card for entry 4515554

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: C1(=O)[C@]([C@H](c2ccccc2)N1C(C)(C)C)(CC=C)C(=O)c1ccccc1
• Title of publication: Asymmetric Rh(II)/Pd(0) Relay Catalysis: Synthesis of α-Quaternary Chiral β-Lactams through Enantioselective C‒H Insertion/Diastereoselective Allylation of Diazoamides
• Authors of publication: Huang, Liang-Zhu; Xuan, Zi; Jeon, Hyun Ji; Du, Zhen-Ting; Kim, Ju Hyun; Lee, Sang-gi
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 7340
• a: 9.356 ± 0.0003 Å
• b: 10.7541 ± 0.0003 Å
• c: 9.6715 ± 0.0003 Å
• α: 90°
• β: 96.3296 ± 0.0015°
• γ: 90°
• Cell volume: 967.17 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No