Information card for entry 7223325

Structure parameters

• Chemical name: 1-benzyl-3-(furan-2-yl)-3-(1H-indol-3-yl)indolin-2-one
• Formula: C27 H19 N2 O2
• Calculated formula: C27 H19 N2 O2
• SMILES: C1(c2ccccc2N(Cc2ccccc2)C1=O)(c1c2ccccc2[nH]c1)c1ccco1
• Title of publication: Fridel-Crafts Alkylation of Arenes with Indolyl Alcohols for Construction of 3,3-Disubstituted Oxindoles
• Authors of publication: wang, xiaoxiao; Liu, Jian; Xu, Lubin; Hao, Zhihui; Wang, Liang; Xiao, Jian
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 9.1713 ± 0.0012 Å
• b: 10.4692 ± 0.0014 Å
• c: 11.6564 ± 0.0016 Å
• α: 87.145 ± 0.004°
• β: 75.225 ± 0.004°
• γ: 84.729 ± 0.004°
• Cell volume: 1077.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No