Information card for entry 7248856

Structure parameters

• Formula: C27 H22 Br F3 N2 O3
• Calculated formula: C27 H24 Br F3 N2 O3
• Title of publication: N-heterocyclic carbene catalyzed [2 + 3] annulation reaction for the synthesis of trifluoroethyl 3,2'-spirooxindole γ-lactam.
• Authors of publication: Pu, Yiru; Wang, Maolin; Tian, Wanrong; Ge, Xian; Zhu, Dikai; Wang, Chuanqi; Zeng, Yingjie; Tao, Feiyan; Deng, Yun; Lu, Jun
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 26
• Pages of publication: 18453 - 18458
• a: 11.3667 ± 0.0003 Å
• b: 7.8133 ± 0.0002 Å
• c: 14.3984 ± 0.0004 Å
• α: 90°
• β: 105.313 ± 0.001°
• γ: 90°
• Cell volume: 1233.34 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No