Information card for entry 7101872

Structure parameters

• Formula: C30 H20 F4 P2
• Calculated formula: C30 H20 F4 P2
• SMILES: P(c1c(P(c2c(F)cccc2)c2c(F)cccc2)cccc1)(c1c(F)cccc1)c1c(F)cccc1
• Title of publication: Template controlled synthesis of a coordinated [11]ane-P2C NHC macrocycle.
• Authors of publication: Kaufhold, Oliver; Stasch, Andreas; Edwards, Peter G; Hahn, F Ekkehardt
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1822 - 1824
• a: 10.966 ± 0.002 Å
• b: 14.272 ± 0.003 Å
• c: 15.942 ± 0.003 Å
• α: 90°
• β: 91.88 ± 0.03°
• γ: 90°
• Cell volume: 2493.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No