Information card for entry 7229557

Structure parameters

• Formula: C37.84 H49 O9.66
• Calculated formula: C37.84 H49.006 O9.663
• Title of publication: Preparation and crystal structures of charge-transfer complexes of acyclic host molecules bearing pyrogallol derivatives with paraquat
• Authors of publication: Kawahata, Masatoshi; Tominaga, Masahide; Maekawa, Yumi; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.1729 ± 0.0016 Å
• b: 13.993 ± 0.002 Å
• c: 14.345 ± 0.002 Å
• α: 63.733 ± 0.004°
• β: 84.981 ± 0.004°
• γ: 74.713 ± 0.004°
• Cell volume: 1765.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No