Information card for entry 7106477

Structure parameters

• Formula: C98 H136 N14 O26
• Calculated formula: C98 H136 N14 O26
• SMILES: C(=O)(C)[O-].c1(CNC(=O)c2cccc(c2)N(=O)=O)c(CNC(=O)c2cccc(c2)N(=O)=O)c(c(CNC(=O)c2cccc(c2)N(=O)=O)c(CNC(=O)c2cccc(c2)N(=O)=O)c1CNC(=O)c1cccc(c1)N(=O)=O)CNC(=O)c1cccc(c1)N(=O)=O.C1COCCO1.C(CCC)[N+](CCCC)(CCCC)CCCC.C(=O)(C)[O-].C1COCCO1.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Encapsulation of [F4(H2O)10]4? in a dimeric assembly of an unidirectional arene based hexapodal amide receptor
• Authors of publication: M. Arunachalam; Pradyut Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 6269
• a: 13.115 ± 0.003 Å
• b: 27.983 ± 0.006 Å
• c: 13.542 ± 0.003 Å
• α: 90°
• β: 93.325 ± 0.005°
• γ: 90°
• Cell volume: 4961.5 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.116
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No