Information card for entry 7239295

Structure parameters

• Formula: C52 H54 Cl2 O18
• Calculated formula: C52 H54 Cl2 O18
• Title of publication: Pillar[5]arene derivatives with three different kinds of repeating units: first examples, crystal structures and selective preparation
• Authors of publication: Pan, Mingguang; Xue, Min
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 260
• a: 21.1413 ± 0.0007 Å
• b: 19.5241 ± 0.0007 Å
• c: 24.0141 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9912.2 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No