Information card for entry 1508598

Structure parameters

• Formula: C20 H17 N O4
• Calculated formula: C20 H17 N O4
• SMILES: c12c(cccc1c(c1C(=O)N(c3c1c2ccc3)C)C(=O)OCC)OC
• Title of publication: Construction of naphtho-fused oxindoles via the aryne Diels-Alder reaction with methyleneindolinones.
• Authors of publication: Li, Jian; Wang, Ning; Li, Chunju; Jia, Xueshun
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 4994 - 4997
• a: 11.582 ± 0.003 Å
• b: 12.044 ± 0.003 Å
• c: 12.456 ± 0.003 Å
• α: 90°
• β: 108.772 ± 0.003°
• γ: 90°
• Cell volume: 1645.1 ± 0.7 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: 0.0945
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No