Information card for entry 7212731

Structure parameters

• Common name: 2,3-dibenzyl-3-hydroxyisoindolin-1-one
• Chemical name: 2,3-dibenzyl-3-hydroxyisoindolin-1-one
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: N1(C(=O)c2c(C1(O)Cc1ccccc1)cccc2)Cc1ccccc1
• Title of publication: Metal-free tandem reaction in water: An efficient and regioselective synthesis of 3-hydroxyisoindolin-1-ones
• Authors of publication: Zhou, Yu; Zhai, Yun; Li, Jian; Ye, Deju; Jiang, Hualiang; Liu, Hong
• Journal of publication: Green Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1397
• a: 9.2376 ± 0.001 Å
• b: 14.5788 ± 0.0016 Å
• c: 14.9383 ± 0.0017 Å
• α: 66.775 ± 0.002°
• β: 74.994 ± 0.002°
• γ: 74.785 ± 0.002°
• Cell volume: 1756.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No