Information card for entry 7128590

Structure parameters

• Chemical name: (S,E)-methyl 5-(5-((E)-(2,2-dimethylhydrazono)methyl)-1-methyl-1H-pyrrol-2-yl)-5-phenylpent-2-enoate
• Formula: C20 H25 N3 O2
• Calculated formula: C20 H25 N3 O2
• Title of publication: Vinylogous hydrazone strategy for the organocatalytic alkylation of heteroaromatic derivatives.
• Authors of publication: Łukasik, Beata; Kowalska, Justyna; Frankowski, Sebastian; Albrecht, Łukasz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 51
• Pages of publication: 6312 - 6315
• a: 6.4512 ± 0.0001 Å
• b: 8.5325 ± 0.0002 Å
• c: 8.7429 ± 0.0002 Å
• α: 91.537 ± 0.002°
• β: 93.551 ± 0.002°
• γ: 91.604 ± 0.002°
• Cell volume: 479.943 ± 0.017 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No