Information card for entry 4068598

Structure parameters

• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• Title of publication: Heteroaromatic Analogues of Dibenzylideneacetone (dba) and Pd02(het-dba)3Complexes: Effect of a Thienyl Moiety on the Reactivity of Pd0(η2-thn-dba)(PPh3)2/Pd0(PPh3)2(n= 1 or 2) and Pd0(η2-th2-dba)(dppe)/Pd0(dppe) in Oxidative Addition Reactions with Iodobenzene
• Authors of publication: Sehnal, Petr; Taghzouti, Hanaa; Fairlamb, Ian J. S.; Jutand, Anny; Lee, Adam F.; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 824
• a: 11.1028 ± 0.0012 Å
• b: 6.2167 ± 0.0007 Å
• c: 17.344 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1197.1 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No