Information card for entry 7122529

Structure parameters

• Formula: C23 H17 N O
• Calculated formula: C23 H17 N O
• Title of publication: Rapid Assembly of Cyclopentene Spiroisoindolinones via Rhodium-Catalysed Redox-Neutral Cascade Reaction
• Authors of publication: Yuan, Tingting; Pi, Chao; You, Chang; Cui, Xiuling; Du, Sidong; Wan, Ting; Wu, Yangjie
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 7.92466 ± 0.00018 Å
• b: 11.5149 ± 0.0003 Å
• c: 19.0209 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1735.69 ± 0.08 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: 0.0826
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No