Information card for entry 1502133

Structure parameters

• Formula: C32 H29 Br N2 O7
• Calculated formula: C32 H29 Br N2 O7
• SMILES: Brc1cc2c(cc1)N(C(=O)[C@]2(c1ccccc1)C[C@@H](C(=O)OCC)N1C(=O)c2c(C1=O)cccc2)C(=O)OC(C)(C)C
• Title of publication: Facile synthesis of enantioenriched Cγ-tetrasubstituted α-amino acid derivatives via an asymmetric nucleophilic addition/protonation cascade.
• Authors of publication: Duan, Shu-Wen; An, Jing; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2290 - 2293
• a: 10.774 ± 0.0006 Å
• b: 14.2273 ± 0.0008 Å
• c: 19.8345 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3040.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No