Information card for entry 1545678

Structure parameters

• Chemical name: [?5:Cs(diglyme)?6-K:?3-K(diglyme)(corannulene trianion)]
• Formula: C32 H38 Cs K2 O6
• Calculated formula: C32 H38 Cs K2 O6
• Title of publication: Tuning the separation and coupling of corannulene trianion-radicals through sizable alkali metal belts
• Authors of publication: Spisak, Sarah N.; Rogachev, Andrey Yu.; Zabula, Alexander V.; Filatov, Alexander S.; Clérac, Rodolphe; Petrukhina, Marina A.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 3137
• a: 9.8938 ± 0.0009 Å
• b: 13.3712 ± 0.0012 Å
• c: 15.521 ± 0.0014 Å
• α: 64.492 ± 0.001°
• β: 78.484 ± 0.001°
• γ: 71.755 ± 0.001°
• Cell volume: 1755 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0549
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No