Information card for entry 7156986

Structure parameters

• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• Title of publication: Ruthenium(ii)-catalysed selective C(sp²)-H bond benzoxylation of biologically appealing N-arylisoindolinones.
• Authors of publication: Yuan, Yu-Chao; Bruneau, Christian; Roisnel, Thierry; Gramage-Doria, Rafael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 32
• Pages of publication: 7517 - 7525
• a: 8.6965 ± 0.0007 Å
• b: 10.6905 ± 0.0007 Å
• c: 18.5537 ± 0.0014 Å
• α: 90°
• β: 96.339 ± 0.003°
• γ: 90°
• Cell volume: 1714.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No