Information card for entry 4513611

Structure parameters

• Formula: C25 H23 N O3
• Calculated formula: C25 H23 N O3
• SMILES: c1(ccccc1)C(=O)[C@@H]1[C@@H](c2ccccc2)N[C@H]([C@H]1c1ccccc1)C(=O)OC
• Title of publication: Aromatic-Amide-Derived Nonbiaryl Atropisomer as Highly Efficient Ligand for Asymmetric Silver-Catalyzed [3 + 2] Cycloaddition
• Authors of publication: Bai, Xing-Feng; Xu, Zheng; Xia, Chun-Gu; Zheng, Zhan-Jiang; Xu, Li-Wen
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 6016
• a: 6.0364 ± 0.0009 Å
• b: 17.033 ± 0.003 Å
• c: 10.4225 ± 0.0016 Å
• α: 90°
• β: 102.271 ± 0.003°
• γ: 90°
• Cell volume: 1047.1 ± 0.3 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: 0.0538
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No