Information card for entry 7156224

Structure parameters

• Formula: C26 H22 Cl2 F3 N O2
• Calculated formula: C26 H22 Cl2 F3 N O2
• Title of publication: Synthesis of CF₃-containing spiro-epoxyoxindoles via the Corey-Chaykovsky reaction of N-alkyl isatins with Ph₂S⁺CH₂CF₃OTf<sup/>.
• Authors of publication: Cheng, Bin; Zu, Bing; Li, Yuntong; Tao, Cheng; Zhang, Chen; Wang, Renqi; Li, Yun; Zhai, Hongbin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 3564 - 3567
• a: 9.3021 ± 0.0009 Å
• b: 11.1033 ± 0.0011 Å
• c: 11.8279 ± 0.0011 Å
• α: 81.577 ± 0.002°
• β: 80.92 ± 0.001°
• γ: 72.384 ± 0.001°
• Cell volume: 1143.41 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No