Information card for entry 7123137

Structure parameters

• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• Title of publication: Synthesis of polysubstituted 3-aminoindenes via rhodium-catalysed [3 + 2] cascade annulations of benzimidates with alkenes
• Authors of publication: Wu, Binjie; Yang, Zi; Zhang, Hong; Wang, Lianhui; Cui, Xiuling
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.8259 ± 0.0006 Å
• b: 12.3491 ± 0.0008 Å
• c: 13.819 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1676.81 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No