Information card for entry 7126338

Structure parameters

• Formula: C19 H19 Cl N2 O3
• Calculated formula: C19 H19 Cl N2 O3
• SMILES: Clc1cc2N(Cc3ccccc3c2c(N2CCOCC2)c1)C(=O)OC
• 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: 9.3251 ± 0.0003 Å
• b: 18.1174 ± 0.0006 Å
• c: 10.1704 ± 0.0004 Å
• α: 90°
• β: 98.755 ± 0.003°
• γ: 90°
• Cell volume: 1698.23 ± 0.1 ų
• Cell temperature: 292.26 ± 0.11 K
• Ambient diffraction temperature: 292.26 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No