Information card for entry 7215904

Structure parameters

• Formula: C44 H52 Cl3 F16 N5 O3
• Calculated formula: C44 H52 Cl3 F16 N5 O3
• 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: 11.8227 ± 0.0009 Å
• b: 13.8754 ± 0.001 Å
• c: 15.4686 ± 0.0011 Å
• α: 86.231 ± 0.001°
• β: 76.249 ± 0.001°
• γ: 86.874 ± 0.001°
• Cell volume: 2457.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No