Information card for entry 7126951

Structure parameters

• Formula: C25 H25 N O8
• Calculated formula: C25 H25 N O8
• SMILES: c1(c(c2c(c(c(c(c2CC)C(=O)OC)C(=O)OC)C)n1c1ccccc1)C(=O)OC)C(=O)OC
• Title of publication: Copper-catalyzed cascade cyclization reaction of 3-aminocyclobutenones with electron-deficient internal alkynes: synthesis of fully substituted indoles.
• Authors of publication: Yu, Yang; Wang, Xin-Yu; Peng, Ju-Yin; Liu, Tao; Zhao, Yu-Long
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 68
• Pages of publication: 9815 - 9818
• a: 11.712 ± 0.002 Å
• b: 11.717 ± 0.002 Å
• c: 17.423 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2390.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No