Information card for entry 7223370

Structure parameters

• Formula: C33 H38 N2 O11
• Calculated formula: C33 H38 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: 13.604 ± 0.002 Å
• b: 9.974 ± 0.002 Å
• c: 13.84 ± 0.003 Å
• α: 90°
• β: 119.099 ± 0.004°
• γ: 90°
• Cell volume: 1640.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No