Information card for entry 4072441

Structure parameters

• Formula: C27 H43 I N2 O
• Calculated formula: C27 H41 I N2 O
• SMILES: [I-].[N+](=CN(c1c(cccc1C(C)C)C(C)C)C)(c1c(cccc1C(C)C)C(C)C)C.O
• Title of publication: Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes
• Authors of publication: Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5774
• a: 10.6234 ± 0.0003 Å
• b: 10.8976 ± 0.0004 Å
• c: 13.5789 ± 0.0005 Å
• α: 103.348 ± 0.0015°
• β: 103.838 ± 0.0018°
• γ: 106.646 ± 0.0017°
• Cell volume: 1384.63 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No