Information card for entry 4517963

Structure parameters

• Formula: C17 H20 N2
• Calculated formula: C17 H20 N2
• Title of publication: Soft Heteroleptic N-Heterocyclic Carbene Palladium(II) Species for Efficient Catalytic Routes to Alkynones via Carbonylative Sonogashira Coupling
• Authors of publication: Mansour, Waseem; Suleiman, Rami; Fettouhi, Mohammed; El Ali, Bassam
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 7.0473 ± 0.0011 Å
• b: 9.0925 ± 0.0016 Å
• c: 10.9446 ± 0.0019 Å
• α: 95.726 ± 0.006°
• β: 103.104 ± 0.005°
• γ: 101.05 ± 0.005°
• Cell volume: 662.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No