Information card for entry 7240307

Structure parameters

• Formula: C63 H56 Cl6 N4 O12
• Calculated formula: C63 H56 Cl6 N4 O12
• Title of publication: Co-Inclusion of cyclic ethers and chloroform by a macrocycle with benzophenone-3,3′,4,4′-tetracarboxylic diimide units
• Authors of publication: Tominaga, Masahide; Mizuno, Kosuke; Yamamoto, Haruka; Hyodo, Tadashi; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.612 ± 0.0005 Å
• b: 12.0404 ± 0.0007 Å
• c: 15.8636 ± 0.001 Å
• α: 81.859 ± 0.002°
• β: 81.279 ± 0.002°
• γ: 80.545 ± 0.002°
• Cell volume: 1407.4 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No