Information card for entry 4067339

Structure parameters

• Formula: C21 H29 I N2
• Calculated formula: C21 H29 I N2
• SMILES: [I-].[N+](=CN(C)c1c(cc(cc1C)C)C)(C)c1c(cc(cc1C)C)C
• Title of publication: Olefin Metathesis Catalysts Containing Acyclic Diaminocarbenes
• Authors of publication: Rosen, Evelyn L.; Sung, Daphne H.; Chen, Zheng; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 250
• a: 10.6781 ± 0.0004 Å
• b: 11.0004 ± 0.0008 Å
• c: 17.8963 ± 0.0012 Å
• α: 90°
• β: 90.41 ± 0.002°
• γ: 90°
• Cell volume: 2102.1 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No