Information card for entry 7109372

Structure parameters

• Formula: C16 H26 F6 N3 P
• Calculated formula: C16 H26 F6 N3 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].c12[n+](cn(CC(C)(C)C)c2nccc1)CC(C)(C)C
• Title of publication: Tuning the electronic properties of an N-heterocyclic carbene by charge and mesomeric effects
• Authors of publication: Hannes Buhl; Christian Ganter
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5417
• a: 10.098 ± 0.002 Å
• b: 19.944 ± 0.005 Å
• c: 10.579 ± 0.002 Å
• α: 90°
• β: 103.041 ± 0.005°
• γ: 90°
• Cell volume: 2075.6 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No