Information card for entry 2218120

Structure parameters

• Chemical name: 1-Allyl-3,3-di-<i>p</i>-tolylindolin-2-one
• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• SMILES: C1(=O)C(c2ccccc2N1CC=C)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 1-Allyl-3,3-di-<i>p</i>-tolylindolin-2-one
• Authors of publication: Nirmala, S.; Theboral Sugi Kamala, E.; Sudha, L.; Naresh Raj, A. R.; 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: o879
• a: 9.3311 ± 0.0002 Å
• b: 9.5793 ± 0.0002 Å
• c: 11.5736 ± 0.0002 Å
• α: 92.163 ± 0.001°
• β: 103.192 ± 0.001°
• γ: 101.52 ± 0.001°
• Cell volume: 983.15 ± 0.03 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: 0.0775
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes