Information card for entry 7124304

Structure parameters

• Chemical name: Methyl (E)-3-(2-((1H-pyrazol-1-yl)methyl)phenyl)acrylate
• Formula: C14 H14 N2 O2
• Calculated formula: C14 H14 N2 O2
• Title of publication: Rhodium(III)-catalyzed regioselective distal ortho C-H alkenylation of N-benzyl/furanylmethylpyrazoles directed by N-coordinating heterocycles
• Authors of publication: Kim, Hyewon; Thombal, Raju S.; Khanal, Hari Datta; Lee, Yong Rok
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.868 ± 0.005 Å
• b: 8.948 ± 0.005 Å
• c: 10.107 ± 0.006 Å
• α: 84.918 ± 0.004°
• β: 66.058 ± 0.004°
• γ: 61.274 ± 0.004°
• Cell volume: 637.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1219
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No