Information card for entry 7231536

Structure parameters

• Formula: C34 H34 Cl2 N4 O6
• Calculated formula: C34 H34 Cl2 N4 O6
• Title of publication: Separation of p-xylene from aromatic compounds through specific inclusion by acyclic host molecule
• Authors of publication: Kawahata, Masatoshi; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 5667
• a: 23.5127 ± 0.0011 Å
• b: 7.1104 ± 0.0003 Å
• c: 19.6874 ± 0.0009 Å
• α: 90°
• β: 108.636 ± 0.002°
• γ: 90°
• Cell volume: 3118.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No