Information card for entry 7218850

Structure parameters

• Formula: C96 H120 F18 N8 O10
• Calculated formula: C96 H120 F18 N8 O10
• SMILES: C(=O)(C)[O-].c1(c(CNC(=O)c2ccccc2C(F)(F)F)c(c(c(c1CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1ccccc1C(F)(F)F)CNC(=O)c1c(C(F)(F)F)cccc1.[N+](CCCC)(CCCC)(CCCC)CCCC.C(=O)(C)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster
• Authors of publication: Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 107
• Pages of publication: 62689
• a: 13.026 ± 0.003 Å
• b: 25.015 ± 0.005 Å
• c: 16.358 ± 0.004 Å
• α: 90°
• β: 92.574 ± 0.004°
• γ: 90°
• Cell volume: 5325 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2323
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No