Information card for entry 1507376

Structure parameters

• Formula: C28 H25 N3 O4
• Calculated formula: C28 H25 N3 O4
• SMILES: O(C(=O)[C@@](Nc1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C.O(C(=O)[C@](Nc1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(N(=O)=O)cc1)C
• Title of publication: A novel three-component reaction catalyzed by dirhodium(II) acetate: decomposition of phenyldiazoacetate with arylamine and imine for highly diastereoselective synthesis of 1,2-diamines.
• Authors of publication: Wang, Yuanhua; Zhu, Yanxin; Chen, Zhiyong; Mi, Aiqiao; Hu, Wenhao; Doyle, Michael P.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 21
• Pages of publication: 3923 - 3926
• a: 26.465 ± 0.005 Å
• b: 9.181 ± 0.001 Å
• c: 9.973 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2423.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No