Information card for entry 7051948

Structure parameters

• Common name: P(O)(OEt)2-OAc-Calix(5)
• Formula: C65 H85 O25 P5
• Calculated formula: C65 H85 O25 P5
• 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: 12.9938 ± 0.0004 Å
• b: 16.3618 ± 0.0005 Å
• c: 18.4136 ± 0.0006 Å
• α: 100.825 ± 0.003°
• β: 94.164 ± 0.003°
• γ: 112.261 ± 0.003°
• Cell volume: 3513.7 ± 0.2 ų
• Cell temperature: 100 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No