Information card for entry 1513939

Structure parameters

• Formula: C29 H24 Br N O5
• Calculated formula: C29 H24 Br N O5
• SMILES: Brc1ccc(C(=O)C[C@@H]2[C@@]3(c4c(N(C3=O)C)cccc4)[C@H](COC2=O)CC(=O)c2ccccc2)cc1
• Title of publication: Hydrogen-Bond-Directed Formal [5 + 1] Annulations of Oxindoles with Ester-Linked Bisenones: Facile Access to Chiral Spirooxindole δ-Lactones.
• Authors of publication: Zhao, Shuai; Lin, Jun-Bing; Zhao, Yuan-Yuan; Liang, Yong-Min; Xu, Peng-Fei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1802 - 1805
• a: 8.915 ± 0.0005 Å
• b: 11.1839 ± 0.0005 Å
• c: 25.103 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2502.9 ± 0.2 ų
• Cell temperature: 291.31 ± 0.12 K
• Ambient diffraction temperature: 291.31 ± 0.12 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: 0.0787
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No