Information card for entry 1571788

Structure parameters

• Common name: P5Ph
• Chemical name: Per-phenyl-substituted pillar[5]arene
• Formula: C48.125 H35 Cl1.25
• Calculated formula: C48.125 H35 Cl1.25
• Title of publication: Pillar[5]arenes decorated with six-membered-ring aromatics at all the substitution positions.
• Authors of publication: Kaneda, Tomoya; Kato, Kenichi; Ohtani, Shunsuke; Ogoshi, Tomoki
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 27
• Pages of publication: 10651 - 10658
• a: 14.015 ± 0.003 Å
• b: 20.406 ± 0.004 Å
• c: 25.223 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7214 ± 3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1826
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No