Information card for entry 1546784

Structure parameters

• Chemical name: (<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one
• Formula: C21 H17 N O2
• Calculated formula: C21 H17 N O2
• SMILES: Oc1c(C2c3c(N(C2=O)Cc2ccccc2)cccc3)cccc1
• Title of publication: (<i>R</i>*)-1-Benzyl-3-(2-hydroxyphenyl)indoline-2-one
• Authors of publication: Bargavi, Srinivasan; Gouthaman, Siddan; Sugunnalakshmi, Madurai; Lakshmi, Srinivasakannan
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: x171164
• a: 11.1344 ± 0.0006 Å
• b: 12.0889 ± 0.0005 Å
• c: 12.4679 ± 0.0006 Å
• α: 89.171 ± 0.003°
• β: 79.125 ± 0.003°
• γ: 84.202 ± 0.003°
• Cell volume: 1639.62 ± 0.14 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: 0.0969
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes