Information card for entry 1502523

Structure parameters

• Formula: C25 H26 O2
• Calculated formula: C25 H26 O2
• SMILES: c1ccccc1C[C@H]([C@@H](C(=O)O)c1ccccc1)[C@@H](c1ccccc1)CC
• Title of publication: Highly diastereo- and enantioselective tandem reaction toward functionalized pyrrolidines with multiple stereocenters.
• Authors of publication: Guo, Shengmei; Xie, Yinjun; Hu, Xinquan; Huang, Hanmin
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5596 - 5599
• a: 11.447 ± 0.003 Å
• b: 6.649 ± 0.002 Å
• c: 14.217 ± 0.004 Å
• α: 90°
• β: 110.166 ± 0.003°
• γ: 90°
• Cell volume: 1015.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No