Information card for entry 7223395

Structure parameters

• Formula: C42 H33 N5 O2
• Calculated formula: C42 H33 N5 O2
• SMILES: O=C1N(Cc2ccccc2)c2ccccc2[C@@]21N[C@H](N([C@@]12c2ccccc2N(C1=O)Cc1ccccc1)c1ccccc1)c1ncccc1
• Title of publication: Highly diastereoselective synthesis of imidazolidine-dispirooxindoles via three-component [3 + 2] cycloadditions of isatins, 2-(aminomethyl)pyridine and isatin-based imines
• Authors of publication: Zhao, Hong-Wu; Chen, Xiao-Qin; Yang, Zhao; Tian, Ting; Li, Bo; Meng, Wei; Song, Xiu-Qing; Pang, Hai-Liang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 125
• Pages of publication: 103116
• a: 10.042 ± 0.002 Å
• b: 17.602 ± 0.004 Å
• c: 18.655 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3297.4 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No