Information card for entry 4128163

Structure parameters

• Formula: C25 H22 F3 N O5
• Calculated formula: C25 H22 F3 N O5
• SMILES: FC(F)(F)C(=O)N1c2ccccc2[C@@]23CC(C[C@@H]2C[C@@]13c1ccccc1)(C(=O)OC)C(=O)OC.FC(F)(F)C(=O)N1c2ccccc2[C@]23CC(C[C@H]2C[C@]13c1ccccc1)(C(=O)OC)C(=O)OC
• Title of publication: Synthesis of Cyclobutane-Fused Angular Tetracyclic Spiroindolines via Visible-Light-Promoted Intramolecular Dearomatization of Indole Derivatives.
• Authors of publication: Zhu, Min; Zheng, Chao; Zhang, Xiao; You, Shu-Li
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 6
• Pages of publication: 2636 - 2644
• a: 9.5048 ± 0.0003 Å
• b: 19.9335 ± 0.0006 Å
• c: 12.2973 ± 0.0004 Å
• α: 90°
• β: 103.258 ± 0.001°
• γ: 90°
• Cell volume: 2267.8 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No