Information card for entry 7126337

Structure parameters

• Formula: C20 H22 N2 O2
• Calculated formula: C20 H22 N2 O2
• SMILES: O(C(=O)N1c2c(c3ccccc3C1)c(N1CCCCC1)ccc2)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: 18.7868 ± 0.0003 Å
• b: 9.84896 ± 0.00013 Å
• c: 19.3586 ± 0.0003 Å
• α: 90°
• β: 108.143 ± 0.0017°
• γ: 90°
• Cell volume: 3403.85 ± 0.09 ų
• Cell temperature: 292.39 ± 0.14 K
• Ambient diffraction temperature: 292.39 ± 0.14 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: 0.0435
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No