Information card for entry 7109606

Structure parameters

• Formula: C30 H24 Br N3 O3
• Calculated formula: C30 H24 Br N3 O3
• SMILES: Brc1ccc([C@@H]2[C@@]3(N[C@H]([C@H]2N(=O)=O)c2ccccc2)c2ccccc2N(C3=O)Cc2ccccc2)cc1
• Title of publication: Organocatalytic asymmetric multicomponent cascade reaction via 1,3-proton shift and [3+2] cycloaddition: an efficient strategy for the synthesis of oxindole derivatives
• Authors of publication: Li Tian; Xiu-Qin Hu; Yun-Han Li; Peng-Fei Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7213
• a: 11.4213 ± 0.0005 Å
• b: 13.1929 ± 0.0004 Å
• c: 17.273 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2602.7 ± 0.16 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: 0.1025
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No