Information card for entry 1505572

Structure parameters

• Formula: C24 H20 N2 O7
• Calculated formula: C24 H20 N2 O7
• SMILES: O=C1Nc2c([C@@]1(O)[C@@](OCc1ccccc1)(c1ccccc1)C(=O)OC)cc(N(=O)=O)cc2.O=C1Nc2c([C@]1(O)[C@](OCc1ccccc1)(c1ccccc1)C(=O)OC)cc(N(=O)=O)cc2
• Title of publication: Trapping of oxonium ylide with isatins: efficient and stereoselective construction of adjacent quaternary carbon centers.
• Authors of publication: Guo, Xin; Huang, Haoxi; Yang, Liping; Hu, Wenhao
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 4721 - 4723
• a: 10.085 ± 0.001 Å
• b: 16.279 ± 0.002 Å
• c: 13.421 ± 0.002 Å
• α: 90°
• β: 101.56 ± 0.01°
• γ: 90°
• Cell volume: 2158.7 ± 0.5 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No