Information card for entry 4032302

Structure parameters

• Formula: C26 H17 N O2
• Calculated formula: C26 H17 N O2
• SMILES: o1c2c(c(c1c1ccccc1)C1c3c(NC1=O)cccc3)c1c(cc2)cccc1
• Title of publication: BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.
• Authors of publication: Sharma, Nitika; Peddinti, Rama Krishna
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 2
• Pages of publication: 918 - 924
• a: 11.7029 ± 0.0006 Å
• b: 8.0441 ± 0.0004 Å
• c: 20.2235 ± 0.001 Å
• α: 90°
• β: 93.371 ± 0.003°
• γ: 90°
• Cell volume: 1900.53 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No