Information card for entry 1564682

Structure parameters

• Formula: C22 H22 N2 O3
• Calculated formula: C22 H22 N2 O3
• SMILES: O(C(C)(C)C)C(=O)N1[C@]23N(c4c([C@@H]2CC1)cccc4)C(=O)c1c3cccc1
• Title of publication: Direct Photo-Induced Reductive Heck Cyclization of Indoles for Efficient Preparation of Polycyclic Indolinyl Compounds
• Authors of publication: Yu, Daohong; To, Wai-Pong; Liu, Yungen; Wu, Liangliang; You, Tingjie; Ling, Jesse; Che, Chi-Ming
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.6179 ± 0.0007 Å
• b: 15.5833 ± 0.0012 Å
• c: 12.461 ± 0.0009 Å
• α: 90°
• β: 93.679 ± 0.003°
• γ: 90°
• Cell volume: 1863.8 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No