Information card for entry 7241936

Structure parameters

• Formula: C118 H147 Cl8 O20
• Calculated formula: C118 H147 Cl8 O20
• Title of publication: Selective complexation and efficient separation of cis/trans-1,2-dichloroethene isomers by a pillar[5]arene
• Authors of publication: Li, Bin; Xu, Kaidi; Wang, Yiliang; Su, Hang; Cui, Lei; Li, Chunju
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 73
• Pages of publication: 45112 - 45115
• a: 22.214 ± 0.004 Å
• b: 20.8 ± 0.004 Å
• c: 25.875 ± 0.005 Å
• α: 90°
• β: 100.33 ± 0.03°
• γ: 90°
• Cell volume: 11762 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1781
• Residual factor for significantly intense reflections: 0.1578
• Weighted residual factors for significantly intense reflections: 0.4057
• Weighted residual factors for all reflections included in the refinement: 0.4279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No