Information card for entry 4122755

Structure parameters

• Formula: C60 H78 Cl N7 O4
• Calculated formula: C60 H78 Cl N7 O4
• Title of publication: Bipyrrole-Strapped Calix[4]pyrroles: Strong Anion Receptors That Extract the Sulfate Anion.
• Authors of publication: Kim, Sung Kuk; Lee, Juhoon; Williams, Neil J.; Lynch, Vincent M.; Hay, Benjamin P.; Moyer, Bruce A.; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 42
• Pages of publication: 15079 - 15085
• a: 24.031 ± 0.003 Å
• b: 20.452 ± 0.002 Å
• c: 24.097 ± 0.002 Å
• α: 90°
• β: 112.993 ± 0.004°
• γ: 90°
• Cell volume: 10902 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1449
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No