Information card for entry 1518701

Structure parameters

• Formula: C80 H85 Cl3 Cs F N4 O11
• Calculated formula: C79 H84 Cs F N4 O11
• Title of publication: Cone Calix[4]arene Diethyl Ester Strapped Calix[4]pyrrole: A Selective Receptor for the Fluoride Anion.
• Authors of publication: Kim, Sung Kuk; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6128
• a: 11.09 ± 0.0012 Å
• b: 33.038 ± 0.003 Å
• c: 20.233 ± 0.002 Å
• α: 90°
• β: 102.967 ± 0.003°
• γ: 90°
• Cell volume: 7224.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0811
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No