Information card for entry 1519658

Structure parameters

• Formula: C28 H28 Br N O6
• Calculated formula: C28 H28 Br N O6
• SMILES: Brc1ccc([C@H]2N(O[C@H](CCC2(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)c2ccccc2)cc1
• Title of publication: Highly diastereoselective and enantioselective formal [4 + 3] cycloaddition of donor-acceptor cyclobutanes with nitrones.
• Authors of publication: Hu, Jiang-Lin; Wang, Lijia; Xu, Hao; Xie, Zuowei; Tang, Yong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2680 - 2683
• a: 10.409 ± 0.0007 Å
• b: 15.4718 ± 0.0011 Å
• c: 16.588 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2671.4 ± 0.3 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: 0.0661
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1023
• 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