Information card for entry 7112076

Structure parameters

• Formula: C31 H45 N3
• Calculated formula: C31 H45 N3
• SMILES: C1=N(=CC(N1c1c(cccc1C(C)C)C(C)C)=NC(C)(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: 'Janus-type' organopotassium chemistry observed in deprotonation of mesoionic imidazolium aminides and amino N-heterocyclic carbenes: coordination and organometallic polymers
• Authors of publication: Andreas A. Danopoulos; Pierre Braunstein
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3055
• a: 10.3078 ± 0.0005 Å
• b: 10.9366 ± 0.0005 Å
• c: 14.078 ± 0.0007 Å
• α: 74.936 ± 0.001°
• β: 78.745 ± 0.001°
• γ: 74.217 ± 0.001°
• Cell volume: 1461.44 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1059
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No