Information card for entry 7051947

Structure parameters

• Formula: C48 H45.5 Br5 Cl6 O12.25
• Calculated formula: C48 H41 Br5 Cl6 O12.25
• 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: 37.319 ± 0.008 Å
• b: 15.438 ± 0.005 Å
• c: 21.72 ± 0.006 Å
• α: 90°
• β: 115.7 ± 0.1°
• γ: 90°
• Cell volume: 11276 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1294
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No