Information card for entry 1518703

Structure parameters

• Formula: C144 H96 Cl4 F N14 O8
• Calculated formula: C86 H102 F N5 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: 19.9315 ± 0.0009 Å
• b: 23.719 ± 0.003 Å
• c: 20.402 ± 0.0016 Å
• α: 90°
• β: 116.015 ± 0.005°
• γ: 90°
• Cell volume: 8667.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No