Information card for entry 2225146

Structure parameters

• Chemical name: 2-(4-Hydroxybiphenyl-3-yl)isoindolin-1-one
• Formula: C20 H15 N O2
• Calculated formula: C20 H15 N O2
• SMILES: O=C1N(c2c(O)ccc(c3ccccc3)c2)Cc2c1cccc2
• Title of publication: 2-(4-Hydroxybiphenyl-3-yl)isoindolin-1-one
• Authors of publication: Zheng, Yu; Wu, Jin-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o448
• a: 7.5123 ± 0.0002 Å
• b: 7.5123 ± 0.0002 Å
• c: 52.3543 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2954.6 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes