Information card for entry 7134650

Structure parameters

• Chemical name: (E)-4-(2-(4-methoxyphenyl)-1,4-diphenylbut-1-en-3-yn-1-yl)benzonitrile
• Formula: C30 H21 N O
• Calculated formula: C30 H21 N O
• Title of publication: Cu^(I)/Pd⁽⁰⁾ cooperative catalysis enabled regioselective C(sp²)-carboboration of 1,3-diynes.
• Authors of publication: Ghosh, Suman; Rooj, Arnab; Deb, Shreya; Ganesh, Venkataraman
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 56
• Pages of publication: 10323 - 10326
• a: 9.762 ± 0.002 Å
• b: 19.29 ± 0.004 Å
• c: 13.15 ± 0.003 Å
• α: 90°
• β: 110.326 ± 0.006°
• γ: 90°
• Cell volume: 2322.1 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301.4 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: 0.0907
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No