Information card for entry 4032412

Structure parameters

• Formula: C32 H24 N2 O4
• Calculated formula: C32 H24 N2 O4
• SMILES: O1[C@]2([C@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)CC1=O)c1ccccc1N(Cc1ccccc1)C2=O.O1[C@@]2([C@@]3(C(=O)N(c4c3cccc4)Cc3ccccc3)CC1=O)c1ccccc1N(Cc1ccccc1)C2=O
• Title of publication: β-Functionalization of Indolin-2-one-Derived Aliphatic Acids for the Divergent Synthesis of Spirooxindole γ-Butyrolactones.
• Authors of publication: Cao, Jing; Dong, Shuding; Jiang, Delu; Zhu, Peiyu; Zhang, Han; Li, Rui; Li, Zhanyi; Wang, Xuanyu; Tang, Weifang; Du, Ding
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 10.3094 ± 0.0016 Å
• b: 14.455 ± 0.002 Å
• c: 17.511 ± 0.003 Å
• α: 90°
• β: 104.905 ± 0.004°
• γ: 90°
• Cell volume: 2521.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.107
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No