Information card for entry 7151384

Structure parameters

• Formula: C109 H114 Br4 O7
• Calculated formula: C96 H101 Br4 O14
• 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: 32.85 ± 0.04 Å
• b: 13.692 ± 0.019 Å
• c: 47.55 ± 0.06 Å
• α: 90°
• β: 98.546 ± 0.01°
• γ: 90°
• Cell volume: 21150 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2825
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.31
• Weighted residual factors for all reflections included in the refinement: 0.3511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No