Information card for entry 2232318

Structure parameters

• Common name: 1,3,3-tribenzylindolin-2-one
• Chemical name: 1,3,3-Tribenzylindolin-2-one
• Formula: C29 H25 N O
• Calculated formula: C29 H25 N O
• SMILES: O=C1N(c2c(cccc2)C1(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1,3,3-Tribenzylindolin-2-one
• Authors of publication: Liu, Yufang; Liu, Bo; Dong, Zhenming; Jin, Shuo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2998
• a: 8.3387 ± 0.0009 Å
• b: 9.6266 ± 0.001 Å
• c: 13.9398 ± 0.0014 Å
• α: 90°
• β: 99.442 ± 0.002°
• γ: 90°
• Cell volume: 1103.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes