Information card for entry 7239298

Structure parameters

• Formula: C108 H119 Cl8 N O36
• Calculated formula: C107.99 H119 Cl7.99 N O36
• 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: 12.101 ± 0.002 Å
• b: 15.262 ± 0.003 Å
• c: 15.448 ± 0.003 Å
• α: 91.89 ± 0.03°
• β: 95.89 ± 0.03°
• γ: 101.88 ± 0.03°
• Cell volume: 2772.9 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1475
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.3832
• Weighted residual factors for all reflections included in the refinement: 0.4225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No