Information card for entry 1575002

Structure parameters

• Formula: C126.89 H168.73 O18
• Calculated formula: C126.898 H168.735 O18
• Title of publication: Dimerization of pillar[5]arene: length-adaptive encapsulation of long-chain guests.
• Authors of publication: Ohtani, Shunsuke; Nakagawa, Keigo; Akine, Shigehisa; Kato, Kenichi; Ogoshi, Tomoki
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 31
• Pages of publication: 14262 - 14269
• a: 12.062 ± 0.005 Å
• b: 21.595 ± 0.009 Å
• c: 23.1024 ± 0.001 Å
• α: 95.788 ± 0.007°
• β: 92.174 ± 0.007°
• γ: 99.902 ± 0.008°
• Cell volume: 5888 ± 3 ų
• Cell temperature: 143.15 K
• Ambient diffraction temperature: 143.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2451
• Residual factor for significantly intense reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.2709
• Weighted residual factors for all reflections included in the refinement: 0.339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No