Information card for entry 4107812

Structure parameters

• Formula: C35 H42 N2
• Calculated formula: C35 H42 N2
• SMILES: N1([C]N(CC1)c1c2cc(ccc2ccc1C(C)C)C(C)C)c1c2cc(ccc2ccc1C(C)C)C(C)C
• 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: 12.6275 ± 0.0004 Å
• b: 20.2412 ± 0.0006 Å
• c: 12.1196 ± 0.0004 Å
• α: 90°
• β: 107.354 ± 0.0018°
• γ: 90°
• Cell volume: 2956.72 ± 0.16 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No