Information card for entry 4025725

Structure parameters

• Formula: C29 H24 Cl N O5
• Calculated formula: C29 H24 Cl N O5
• SMILES: Clc1ccc([C@]2(C(=O)Oc3n(c4ccccc4c3[C@@H]2C(=O)OCC)C(=O)c2ccccc2)CC)cc1
• Title of publication: Enantioselective Synthesis of Indole-Fused Dihydropyranones via Catalytic Cycloaddition of Ketenes and 3-Alkylenyloxindoles
• Authors of publication: Hui Lv; Xiang-Yu Chen; Li-hui Sun; Song Ye
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6973 - 6976
• a: 6.8199 ± 0.0014 Å
• b: 17.902 ± 0.004 Å
• c: 20.555 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2509.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1248
• Residual factor for significantly intense reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No