Information card for entry 4130676

Structure parameters

• Formula: C56 H65 I Li N11 O4
• Calculated formula: C56 H64 I Li N11 O4
• Title of publication: Hemispherand-Strapped Calix[4]pyrrole: An Ion-pair Receptor for the Recognition and Extraction of Lithium Nitrite.
• Authors of publication: He, Qing; Zhang, Zhan; Brewster, James T.; Lynch, Vincent M.; Kim, Sung Kuk; Sessler, Jonathan L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 31
• Pages of publication: 9779 - 9782
• a: 13.8691 ± 0.0014 Å
• b: 13.9169 ± 0.0014 Å
• c: 14.7837 ± 0.0014 Å
• α: 87.019 ± 0.003°
• β: 83.805 ± 0.003°
• γ: 69.563 ± 0.003°
• Cell volume: 2657.9 ± 0.5 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No