Information card for entry 7153547

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O=C(c1[nH]c(c2ccccc12)c1ccccc1)CCCC
• Title of publication: Geometry-dependent divergence in the gold-catalyzed redox cascade cyclization of o-alkynylaryl ketoximes and nitrones leading to isoindoles
• Authors of publication: Yeom, Hyun-Suk; Lee, Youngun; Lee, Ji-Eun; Shin, Seunghoon
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 4744 - 4752
• a: 12.3395 ± 0.0005 Å
• b: 16.6385 ± 0.0009 Å
• c: 16.9325 ± 0.0007 Å
• α: 102.905 ± 0.003°
• β: 101.82 ± 0.002°
• γ: 111.464 ± 0.002°
• Cell volume: 2992.1 ± 0.3 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1878
• Weighted residual factors for all reflections included in the refinement: 0.2197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No