Information card for entry 7134874

Structure parameters

• Formula: C29 H29 N3 O4
• Calculated formula: C29 H29 N3 O4
• 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: 5.7514 ± 0.0008 Å
• b: 10.0954 ± 0.0016 Å
• c: 22.139 ± 0.004 Å
• α: 101.995 ± 0.012°
• β: 91.679 ± 0.011°
• γ: 102.73 ± 0.01°
• Cell volume: 1222.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0956
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No