Information card for entry 7134876

Structure parameters

• Formula: C32 H35 N3 O4
• Calculated formula: C32 H35 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: 14.0792 ± 0.0004 Å
• b: 20.6051 ± 0.0006 Å
• c: 9.7661 ± 0.0003 Å
• α: 90°
• β: 98.84 ± 0.001°
• γ: 90°
• Cell volume: 2799.52 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.0392
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No