Information card for entry 7220539

Structure parameters

• Formula: C118 H186 Cl2 F6 N10 O16
• Calculated formula: C115.32 H169.68 Cl4 F6 N10 O12
• 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: 17.066 ± 0.01 Å
• b: 18.946 ± 0.01 Å
• c: 20.674 ± 0.011 Å
• α: 90°
• β: 105.45 ± 0.015°
• γ: 90°
• Cell volume: 6443 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1603
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2479
• Weighted residual factors for all reflections included in the refinement: 0.3064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No