Information card for entry 1515235

Structure parameters

• Formula: C43 H54 F15 N8 O4
• Calculated formula: C43 H54 F15 N8 O4
• Title of publication: Acid/base controlled size modulation of capsular phosphates, hydroxide encapsulation, quantitative and clean extraction of sulfate with carbonate capsules of a tripodal urea receptor
• Authors of publication: Akhuli, Bidyut; Ravikumar, I.; Ghosh, Pradyut
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 1522
• a: 13.939 ± 0.002 Å
• b: 14.194 ± 0.005 Å
• c: 14.511 ± 0.003 Å
• α: 93.624 ± 0.003°
• β: 118.198 ± 0.002°
• γ: 96.509 ± 0.003°
• Cell volume: 2491.5 ± 1.1 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: 0.1072
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No