Information card for entry 7219616

Structure parameters

• Formula: C53.5 H43.5 Cl4.5 N4 O8
• Calculated formula: C53.5 H43.5 Cl4.52 N4 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: 13.1674 ± 0.0015 Å
• b: 13.8587 ± 0.0016 Å
• c: 15.664 ± 0.0018 Å
• α: 64.005 ± 0.002°
• β: 85.984 ± 0.002°
• γ: 67.813 ± 0.002°
• Cell volume: 2363.3 ± 0.5 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: 0.0965
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No