Information card for entry 7219611

Structure parameters

• Formula: C44 H42 Cl6 N6 O8
• Calculated formula: C44 H42 Cl6 N6 O8
• Title of publication: Dimeric packing of molecular clips induced by interactions between π-systems
• Authors of publication: Wang, Jungang; Wang, Miao; Xiang, Jiachen; Cao, Liping; Wu, Anxin; Isaacs, Lyle
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 2486
• a: 10.7259 ± 0.0009 Å
• b: 14.2208 ± 0.0012 Å
• c: 14.8907 ± 0.0012 Å
• α: 92.508 ± 0.001°
• β: 93.72 ± 0.001°
• γ: 98.825 ± 0.001°
• Cell volume: 2236.3 ± 0.3 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: 0.0782
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No