Information card for entry 7220540

Structure parameters

• Formula: C90 H120 N14 O26
• Calculated formula: C90 H120 N14 O26
• 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: 38.647 ± 0.004 Å
• b: 10.5794 ± 0.0011 Å
• c: 23.724 ± 0.003 Å
• α: 90°
• β: 97.545 ± 0.003°
• γ: 90°
• Cell volume: 9615.9 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No