Information card for entry 2218121

Structure parameters

• Chemical name: 1-Allyl-3,3-diphenylindolin-2-one
• Formula: C23 H19 N O
• Calculated formula: C23 H19 N O
• SMILES: C1(=O)C(c2ccccc2N1CC=C)(c1ccccc1)c1ccccc1
• Title of publication: 1-Allyl-3,3-diphenylindolin-2-one
• Authors of publication: Nirmala, S.; Kamala, E. Theboral Sugi; Sudha, L.; Raj, A. R. Naresh; Huq, C. A. M. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o834
• a: 8.8449 ± 0.0003 Å
• b: 12.3879 ± 0.0004 Å
• c: 16.0377 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1757.25 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes