Information card for entry 7151383

Structure parameters

• Formula: C81.5 H93 Cl4 I4 N0 O11.5
• Calculated formula: C81.5 H77 Cl4 I4 O11.49
• Title of publication: Halo-Derivatised Calix[4]tubes
• Authors of publication: Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 7
• Pages of publication: 1232
• a: 11.413 ± 0.017 Å
• b: 13.296 ± 0.017 Å
• c: 32.14 ± 0.04 Å
• α: 81.631 ± 0.01°
• β: 81.645 ± 0.01°
• γ: 67.077 ± 0.01°
• Cell volume: 4423 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1154
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.2674
• 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