Information card for entry 7154123

Structure parameters

• Formula: C38 H33 Cl N2 O6
• Calculated formula: C38 H33 Cl N2 O6
• SMILES: Clc1ccc2N(C(=O)C(=C(CC3(C(=O)N(C(=O)OC(C)(C)C)c4c3cccc4)c3ccccc3)\C(=O)OC)\c2c1)Cc1ccccc1
• Title of publication: Highly regioselective synthesis of 3-alkenyl-oxindole ring-fused 3,3'-disubstituted oxindoles via direct gamma-substitution of Morita-Baylis-Hillman carbonates of isatins with 3-substituted oxindoles.
• Authors of publication: Feng, Ting-Ting; Huang, Xuan; Liu, Xiong-Li; Jing, De-Hong; Liu, Xiong-Wei; Guo, Feng-Ming; Zhou, Ying; Yuan, Wei-Cheng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 46
• Pages of publication: 9366
• a: 10.54 ± 0.0018 Å
• b: 18.518 ± 0.003 Å
• c: 16.641 ± 0.003 Å
• α: 90°
• β: 98.845 ± 0.003°
• γ: 90°
• Cell volume: 3209.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1763
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No