Information card for entry 1503384

Structure parameters

• Formula: C90 H96 F30 N8 O10
• Calculated formula: C90 H96 F30 N8 O10
• SMILES: Fc1c(C(=O)NCc2c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(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)CNC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.[O-]C(=O)C.O=C([O-])C.[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: 13.2436 ± 0.0019 Å
• b: 13.671 ± 0.0019 Å
• c: 14.757 ± 0.002 Å
• α: 92.621 ± 0.004°
• β: 111.618 ± 0.004°
• γ: 103.739 ± 0.004°
• Cell volume: 2386.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No