Information card for entry 7229556

Structure parameters

• Formula: C34 H43 F6 N O6 P
• Calculated formula: C34 H43 F6 N O6 P
• 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: 9.6564 ± 0.0011 Å
• b: 13.3543 ± 0.0015 Å
• c: 14.3477 ± 0.0016 Å
• α: 67.011 ± 0.004°
• β: 76.108 ± 0.004°
• γ: 80.955 ± 0.004°
• Cell volume: 1649.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No