Information card for entry 7051950

Structure parameters

• Formula: C81.5 H108 O31 P6
• Calculated formula: C81.5 H98 O31 P6
• Title of publication: Self-organised nano-arrays of p-phosphonic acid functionalised higher order calixarenes
• Authors of publication: Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Su, Dian; Rohrs, Henry; Gross, Michael L.; Atwood, Jerry L.; Raston, Colin L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 1478
• a: 15.701 ± 0.002 Å
• b: 15.946 ± 0.002 Å
• c: 20.01 ± 0.002 Å
• α: 72.218 ± 0.002°
• β: 85.667 ± 0.002°
• γ: 80.292 ± 0.002°
• Cell volume: 4700.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.1346
• Weighted residual factors for significantly intense reflections: 0.2911
• Weighted residual factors for all reflections included in the refinement: 0.312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No