Information card for entry 1564681

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: O=C1N2c3c(cccc3)[C@@H](CCO)[C@H]2c2c1cccc2.O=C1N2c3c(cccc3)[C@H](CCO)[C@@H]2c2c1cccc2
• 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: 10.4073 ± 0.0006 Å
• b: 8.7265 ± 0.0005 Å
• c: 14.6032 ± 0.0007 Å
• α: 90°
• β: 94.709 ± 0.002°
• γ: 90°
• Cell volume: 1321.78 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No