Information card for entry 1503383

Structure parameters

• Formula: C118 H166 F30 N14 O20
• Calculated formula: C118 H166 F30 N14 O20
• SMILES: Fc1c(C(=O)NCc2c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c2CNC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.O.O=N(=O)[O-].O=N(=O)[O-].O.O=N(=O)[O-].O=N(=O)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Bistripodand amide host for compartmental recognition of multiple oxyanions.
• Authors of publication: Arunachalam, M.; Ghosh, Pradyut
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 328 - 331
• a: 22.9778 ± 0.0019 Å
• b: 21.9054 ± 0.0018 Å
• c: 26.306 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13240.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No