Information card for entry 7154124

Structure parameters

• Formula: C32 H29 F N2 O6
• Calculated formula: C32 H29 F N2 O6
• SMILES: O=C(OC(C)(C)C)N1C(=O)C(C/C(=C\2c3c(cccc3)N(C2=O)C)C(=O)OC)(c2c1ccc(F)c2)c1ccccc1
• 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: 11.2629 ± 0.0017 Å
• b: 11.9759 ± 0.0019 Å
• c: 12.3346 ± 0.0019 Å
• α: 81.629 ± 0.002°
• β: 68.063 ± 0.002°
• γ: 65.327 ± 0.002°
• Cell volume: 1402.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No