Information card for entry 7123082

Structure parameters

• Formula: C28 H25 Br3 N2 O3
• Calculated formula: C28 H25 Br3 N2 O3
• Title of publication: Access to Chiral Tetrahydrofluorenes through Palladium-Catalyzed Enantioselective Tandem Intramolecular Heck/Tsuji‒Trost Reaction
• Authors of publication: Zhang, Ying; Shen, Hong-Cheng; Li, Yang-Yang; Huang, Yong-Shuang; Han, Zhiyong; Wu, Xiang
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.4998 ± 0.0009 Å
• b: 23.79 ± 0.003 Å
• c: 7.8325 ± 0.0009 Å
• α: 90°
• β: 100.688 ± 0.002°
• γ: 90°
• Cell volume: 1373.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No