Information card for entry 4517987

Structure parameters

• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O=C1[C@]23c4c(N5[C@]2([C@H](C3)CCC5=O)CCC1)cccc4.O=C1[C@@]23c4c(N5[C@@]2([C@@H](C3)CCC5=O)CCC1)cccc4
• Title of publication: Photocatalytic Intramolecular [2 + 2] Cycloaddition of Indole Derivatives via Energy Transfer: A Method for Late-Stage Skeletal Transformation
• Authors of publication: Zhang, Zhijie; Yi, Dong; Zhang, Min; Wei, Jun; Lu, Ji; Yang, Lin; Wang, Jun; Hao, Na; Pan, Xianchao; Zhang, Shiqi; Wei, Siping; Fu, Qiang
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 10149 - 10156
• a: 11.2862 ± 0.0003 Å
• b: 9.2093 ± 0.0002 Å
• c: 13.1111 ± 0.0003 Å
• α: 90°
• β: 109.258 ± 0.003°
• γ: 90°
• Cell volume: 1286.49 ± 0.06 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No