Information card for entry 4029434

Structure parameters

• Formula: C27 H23 N3 O4
• Calculated formula: C27 H23 N3 O4
• SMILES: N1(c2c([C@@]3(N(C(=O)[C@@H](NC(=O)c4ccccc4)[C@@H]3c3ccccc3)C=O)C1=O)cccc2)CC.N1(c2c([C@]3(N(C(=O)[C@H](NC(=O)c4ccccc4)[C@H]3c3ccccc3)C=O)C1=O)cccc2)CC
• Title of publication: Tandem Michael addition-ring transformation reactions of 3-hydroxyoxindoles/3-aminooxindoles with olefinic azlactones: direct access to structurally diverse spirocyclic oxindoles.
• Authors of publication: Cui, Bao-Dong; Zuo, Jian; Zhao, Jian-Qiang; Zhou, Ming-Qiang; Wu, Zhi-Jun; Zhang, Xiao-Mei; Yuan, Wei-Cheng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 11
• Pages of publication: 5305 - 5314
• a: 9.4852 ± 0.0001 Å
• b: 16.6744 ± 0.0002 Å
• c: 15.2017 ± 0.0002 Å
• α: 90°
• β: 94.942 ± 0.001°
• γ: 90°
• Cell volume: 2395.36 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No