Information card for entry 7220541

Structure parameters

• Formula: C96 H120 F18 N8 O14
• Calculated formula: C96 H126 F18 N8 O14
• Title of publication: Arene Platform Based Hexa-amide Receptors for Anion Recognition: A Detailed Conformational and Thermodynamic Studies
• Authors of publication: Ghosh, Pradyut; Chakraborty, Sourav; Arunachalam, M.; Dutta, Ranjan
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.425 ± 0.004 Å
• b: 14.397 ± 0.005 Å
• c: 16.57 ± 0.006 Å
• α: 80.64 ± 0.01°
• β: 71.645 ± 0.01°
• γ: 89.007 ± 0.01°
• Cell volume: 2550.8 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1678
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.226
• Weighted residual factors for all reflections included in the refinement: 0.3084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No