Information card for entry 7126339

Structure parameters

• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• SMILES: c12c(N3CCOCC3)cc(cc1N(C(=O)OC)Cc1c2cccc1)C
• Title of publication: A carboxylate-assisted amination/unactivated C(sp²)-H arylation reaction via a palladium/norbornene cooperative catalysis.
• Authors of publication: An, Yang; Zhang, Bo-Sheng; Zhang, Zhe; Liu, Ce; Gou, Xue-Ya; Ding, Ya-Nan; Liang, Yong-Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 44
• Pages of publication: 5933 - 5936
• a: 9.411 ± 0.0005 Å
• b: 9.7287 ± 0.0005 Å
• c: 9.9501 ± 0.0006 Å
• α: 87.849 ± 0.004°
• β: 85.541 ± 0.005°
• γ: 72.201 ± 0.005°
• Cell volume: 864.68 ± 0.09 ų
• Cell temperature: 292.49 ± 0.1 K
• Ambient diffraction temperature: 292.49 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No