Information card for entry 4031071

Structure parameters

• Formula: C26 H25 Cl2 N O5
• Calculated formula: C26 H25 Cl2 N O5
• SMILES: Clc1ccc([C@@H]2c3c4c(n(c3OC(=C\C(=O)OCC)\C2)C(=O)OC(C)(C)C)cccc4)cc1Cl
• Title of publication: Enantioselective Synthesis of Dihydropyran-Fused Indoles through [4+2] Cycloaddition between Allenoates and 3-Olefinic Oxindoles.
• Authors of publication: Wang, Feng; Li, Zhen; Wang, Jie; Li, Xin; Cheng, Jin-Pei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 5279 - 5286
• a: 10.83 ± 0.002 Å
• b: 10.354 ± 0.002 Å
• c: 11.114 ± 0.002 Å
• α: 90°
• β: 94.62 ± 0.03°
• γ: 90°
• Cell volume: 1242.2 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No