Information card for entry 4080926

Structure parameters

• Chemical name: corannulene-bis(15-crown-5-ether)-rubidium) hexane solvate
• Formula: C43 H57 O10 Rb
• Calculated formula: C43 H57 O10 Rb
• Title of publication: Tuning Binding of Rubidium Ions to Planar and Curved Negatively Charged π Surfaces
• Authors of publication: Spisak, Sarah N.; Sumner, Natalie J.; Zabula, Alexander V.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3773
• a: 9.2731 ± 0.0011 Å
• b: 24.259 ± 0.003 Å
• c: 17.762 ± 0.002 Å
• α: 90°
• β: 94.705 ± 0.002°
• γ: 90°
• Cell volume: 3982.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No