Information card for entry 7223375

Structure parameters

• Formula: C42 H54 N2 O11
• Calculated formula: C42 H42 N2 O11
• Title of publication: A systematic study on ternary inclusion crystals consisting of dianilines and three positional isomers of ditoluoyl-l-tartaric acid
• Authors of publication: Kodama, Koichi; Morita, Yuya; Sekine, Eriko; Hirose, Takuji
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 123
• a: 7.7836 ± 0.0008 Å
• b: 22.234 ± 0.002 Å
• c: 24.89 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4307.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No