Information card for entry 7051951

Structure parameters

• Formula: C104 H136 O40 P8
• Calculated formula: C104 H136 O40 P8
• 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: 14.055 ± 0.002 Å
• b: 14.498 ± 0.002 Å
• c: 15.077 ± 0.002 Å
• α: 75.011 ± 0.003°
• β: 88.677 ± 0.003°
• γ: 74.754 ± 0.003°
• Cell volume: 2859.9 ± 0.7 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: 0.1308
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2717
• Weighted residual factors for all reflections included in the refinement: 0.3068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No