Information card for entry 7037527

Structure parameters

• Formula: C16 H14 F2 N2
• Calculated formula: C16 H14 F2 N2
• Title of publication: B(C6F5)3-catalyzed metal-free hydrogenation of 3,6-diarylpyridazines.
• Authors of publication: Wang, Wei; Meng, Wei; Du, Haifeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5945 - 5948
• a: 5.633 ± 0.002 Å
• b: 10.581 ± 0.004 Å
• c: 11.33 ± 0.005 Å
• α: 97.097 ± 0.006°
• β: 103.762 ± 0.008°
• γ: 92.953 ± 0.004°
• Cell volume: 648.6 ± 0.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0678
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No