Information card for entry 1504800

Structure parameters

• Formula: C29.38 H19.75 Cl1.5 F6 N2
• Calculated formula: C29.375 H19.75 Cl1.5 F6 N2
• Title of publication: Synthesis of electronically diverse tetraarylimidazolylidene carbenes via catalytic aldimine coupling.
• Authors of publication: Ogle, James W.; Zhang, Jubo; Reibenspies, Joseph H.; Abboud, Khalil A.; Miller, Stephen A.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 3677 - 3680
• a: 10.757 ± 0.003 Å
• b: 15.673 ± 0.005 Å
• c: 15.764 ± 0.005 Å
• α: 98.285 ± 0.005°
• β: 90.679 ± 0.005°
• γ: 95.983 ± 0.005°
• Cell volume: 2614.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No