Information card for entry 7215903

Structure parameters

• Formula: C27 H18 F12 N4 O3
• Calculated formula: C27 H18 F12 N4 O3
• SMILES: c1(C(=O)NCCN(CCNC(=O)c2c(c(c(c(c2)F)F)F)F)CCNC(=O)c2c(c(c(c(c2)F)F)F)F)c(c(c(c(c1)F)F)F)F
• Title of publication: Recognition of fluoride in fluorophenyl attached tripodal amide receptors: structural evidence of solvent capped encapsulation of anion in a C3v-symmetric tripodal cleft
• Authors of publication: Saha, Subrata; Akhuli, Bidyut; Ravikumar, I.; Lakshminarayanan, P. S.; Ghosh, Pradyut
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4796
• a: 10.891 ± 0.0017 Å
• b: 17.196 ± 0.003 Å
• c: 14.431 ± 0.002 Å
• α: 90°
• β: 103.322 ± 0.004°
• γ: 90°
• Cell volume: 2629.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No