Information card for entry 7126666

Structure parameters

• Common name: (C24H18N2O4)(C24H32O8)2(C32H12BF24)2(CHCl3)3(MeOH)2(H2O)
• Formula: C141 H119 B2 Cl9 F48 N2 O23
• Calculated formula: C140.999 H116.999 B2 Cl8.997 F48 N2 O23
• Title of publication: Efficient formation of [3]pseudorotaxane based on cooperative complexation of dibenzo-24-crown-8 with diphenylviologen axle.
• Authors of publication: Sakata, Yoko; Ogura, Takaya; Akine, Shigehisa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 62
• Pages of publication: 8735 - 8738
• a: 20.123 ± 0.0011 Å
• b: 20.4221 ± 0.001 Å
• c: 21.1299 ± 0.0011 Å
• α: 81.209 ± 0.002°
• β: 76.368 ± 0.002°
• γ: 72.895 ± 0.002°
• Cell volume: 8032.9 ± 0.7 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.2182
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No