Information card for entry 1575001

Structure parameters

• Common name: C118H138O18(C6H14)2
• Formula: C130 H166 O18
• Calculated formula: C130 H166 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: 12.587 ± 0.009 Å
• b: 20.924 ± 0.014 Å
• c: 22.9 ± 0.015 Å
• α: 90°
• β: 90.935 ± 0.01°
• γ: 90°
• Cell volume: 6030 ± 7 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.227
• Residual factor for significantly intense reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.231
• Weighted residual factors for all reflections included in the refinement: 0.2819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No