Information card for entry 7153283

Structure parameters

• Formula: C35 H45 I N2
• Calculated formula: C35 H45 I N2
• SMILES: n1(c([n+](cc1)c1c(cccc1C(C)C)C(C)C)Cc1ccc(cc1)C)c1c(cccc1C(C)C)C(C)C.[I-]
• Title of publication: On new N-heterocyclic carbene derived alkylidene imidazolines.
• Authors of publication: Knappke, Christiane E. I.; Neudörfl, Jörg M; von Wangelin, Axel Jacobi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1695 - 1705
• a: 9.9198 ± 0.0003 Å
• b: 10.5205 ± 0.0004 Å
• c: 16.677 ± 0.0006 Å
• α: 83.068 ± 0.002°
• β: 85.616 ± 0.002°
• γ: 69.015 ± 0.002°
• Cell volume: 1612.08 ± 0.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No