Information card for entry 4031072

Structure parameters

• Formula: C24 H23 N O5
• Calculated formula: C24 H23 N O5
• SMILES: O(CC)C(=O)n1c2ccccc2c2c1OC(=C\C(=O)OCC)\C[C@@H]2c1ccccc1
• 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: 5.6009 ± 0.0011 Å
• b: 14.502 ± 0.003 Å
• c: 24.919 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2024 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No