Information card for entry 1508599

Structure parameters

• Formula: C25 H19 N O3
• Calculated formula: C25 H19 N O3
• SMILES: c1(c2ccccc2c2cccc3c2c1C(=O)N3Cc1ccccc1)C(=O)OCC
• 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: 9.4777 ± 0.0011 Å
• b: 24.893 ± 0.003 Å
• c: 8.2477 ± 0.001 Å
• α: 90°
• β: 100.39 ± 0.001°
• γ: 90°
• Cell volume: 1914 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No