Information card for entry 1503083

Structure parameters

• Formula: C22 H22 N2 O
• Calculated formula: C22 H22 N2 O
• SMILES: N1(c2ccccc2[C@](C1=O)(CC#N)C(C=C)(C)C)Cc1ccccc1
• Title of publication: Branch-selective synthesis of oxindole and indene scaffolds: transition metal-controlled intramolecular aryl amidation leading to c3 reverse-prenylated oxindoles.
• Authors of publication: Ignatenko, Vasily A.; Deligonul, Nihal; Viswanathan, Rajesh
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 16
• Pages of publication: 3594 - 3597
• a: 8.3995 ± 0.0011 Å
• b: 12.2643 ± 0.0016 Å
• c: 17.383 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1790.7 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No