Information card for entry 1570699

Structure parameters

• Formula: C33 H31 F2 N3 O2
• Calculated formula: C33 H31 F2 N3 O2
• Title of publication: Efficient construction of functionalized pyrroloindolines through cascade radical cyclization/intermolecular coupling.
• Authors of publication: Jiang, Yonggang; Liu, Dongxiang; Zhang, Lening; Qin, Cuirong; Li, Hui; Yang, Haitao; Walsh, Patrick J.; Yang, Xiaodong
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2205 - 2210
• a: 10.1447 ± 0.0005 Å
• b: 26.4984 ± 0.0013 Å
• c: 10.7233 ± 0.0004 Å
• α: 90°
• β: 106.691 ± 0.002°
• γ: 90°
• Cell volume: 2761.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0721
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No