Information card for entry 7134875

Structure parameters

• Formula: C20 H17 Cl3 N2 O2
• Calculated formula: C20 H17 Cl3 N2 O2
• Title of publication: C(sp³)-H functionalization of <i>N</i>-protected dialkylpyrrole derivatives with azodicarboxylates.
• Authors of publication: Guo, Jing; Yan, Maying; Xiao, Lei; Li, Jiajie; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 72
• Pages of publication: 13659 - 13662
• a: 9.0344 ± 0.0002 Å
• b: 10.3333 ± 0.0002 Å
• c: 21.6961 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025.44 ± 0.08 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No