Information card for entry 7219617

Structure parameters

• Formula: C49 H43 Cl3 N4 O8
• Calculated formula: C49 H43 Cl3 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: 10.9368 ± 0.0013 Å
• b: 14.8456 ± 0.0018 Å
• c: 15.7583 ± 0.0019 Å
• α: 71.07 ± 0.002°
• β: 89.029 ± 0.002°
• γ: 69.365 ± 0.002°
• Cell volume: 2251.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1059
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No