Information card for entry 4107817

Structure parameters

• Formula: C46 H36 N4
• Calculated formula: C46 H36 N4
• SMILES: C1(=C2N(CCN2c2c3ccccc3ccc2)c2c3ccccc3ccc2)N(CCN1c1c2ccccc2ccc1)c1c2ccccc2ccc1
• Title of publication: Identification and Characterization of a New Family of Catalytically Highly Active Imidazolin-2-ylidenes
• Authors of publication: Xinjun Luan; Ronaldo Mariz; Michele Gatti; Chiara Costabile; Albert Poater; Luigi Cavallo; Anthony Linden; Reto Dorta
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6848 - 6858
• a: 7.9161 ± 0.0002 Å
• b: 8.0645 ± 0.0002 Å
• c: 13.5869 ± 0.0004 Å
• α: 85.0784 ± 0.0016°
• β: 86.6572 ± 0.0015°
• γ: 71.868 ± 0.0016°
• Cell volume: 820.81 ± 0.04 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 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: 0.0705
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No