Information card for entry 7132301

Structure parameters

• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• Title of publication: Rhodium-catalyzed divergent dehydroxylation/alkenylation of hydroxyisoindolinones with vinylene carbonate
• Authors of publication: Nan, Jiang; Liang, Lu
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 7.5438 ± 0.0013 Å
• b: 9.2653 ± 0.0016 Å
• c: 10.844 ± 0.002 Å
• α: 95.635 ± 0.006°
• β: 103.483 ± 0.006°
• γ: 110.434 ± 0.005°
• Cell volume: 677.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1397
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.3796
• Weighted residual factors for all reflections included in the refinement: 0.3955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No