Information card for entry 1502526

Structure parameters

• Formula: C25 H26 Br N O5
• Calculated formula: C25 H26 Br N O5
• SMILES: Brc1ccc(cc1)/C=C1\C[C@@](Cc2ccccc2)(C(=O)OC)N(C1=O)C(=O)OC(C)(C)C
• Title of publication: A facile Cu(I)/BINAP-catalyzed asymmetric approach to functionalized pyroglutamate derivatives bearing a unique quaternary stereogenic center.
• Authors of publication: Teng, Huai-Long; Luo, Fei-Long; Tao, Hai-Yan; Wang, Chun-Jiang
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5600 - 5603
• a: 7.8787 ± 0.0015 Å
• b: 11.789 ± 0.002 Å
• c: 26.185 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2432.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No