Information card for entry 7126149

Structure parameters

• Formula: C18 H14 N2 O4
• Calculated formula: C18 H14 N2 O4
• Title of publication: Synthesis of chiral [2,3]-fused indolines through enantioselective dearomatization inverse-electron-demand Diels-Alder reaction/oxidation of indoles with 2-(2-nitrovinyl)-1,4-benzoquinone.
• Authors of publication: Zhao, Sihan; Cheng, Shaobing; Liu, Hui; Zhang, Jiayan; Liu, Min; Yuan, Weicheng; Zhang, Xiaomei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4200 - 4203
• a: 8.8208 ± 0.0005 Å
• b: 11.9769 ± 0.0012 Å
• c: 14.7126 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1554.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0493
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No