Information card for entry 7117947

Structure parameters

• Formula: C30 H24 Br N3 O3
• Calculated formula: C30 H24 Br N3 O3
• SMILES: Brc1ccc([C@H]2[C@H](N(=O)=O)[C@@H](N[C@@]32c2c(N(C3=O)Cc3ccccc3)cccc2)c2ccccc2)cc1
• Title of publication: Catalytic asymmetric construction of spiro[pyrrolidine-2,3'-oxindole] scaffolds through chiral phosphoric acid-catalyzed 1,3-dipolar cycloaddition involving 3-amino oxindoles
• Authors of publication: Guodong Zhu; Baomin Wang; Xiaoze Bao; Huanrui Zhang; Qian Wei; Jingping Qu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15510
• a: 10.8543 ± 0.0002 Å
• b: 13.163 ± 0.0002 Å
• c: 17.7406 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2534.69 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No