Information card for entry 7241819

Structure parameters

• Formula: C71 H78 N O35
• Calculated formula: C71 H63 N O35
• Title of publication: Unveiling the structural features of the host‒guest complexes of carboxylated pillar[5]arene with viologen derivatives
• Authors of publication: Butkiewicz, Helena; Kosiorek, Sandra; Sashuk, Volodymyr; Danylyuk, Oksana
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1075 - 1082
• a: 12.9186 ± 0.0005 Å
• b: 13.6147 ± 0.0006 Å
• c: 21.739 ± 0.0008 Å
• α: 89.925 ± 0.003°
• β: 81.101 ± 0.003°
• γ: 76.021 ± 0.003°
• Cell volume: 3663 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2839
• Weighted residual factors for all reflections included in the refinement: 0.2965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No