Information card for entry 1503548

Structure parameters

• Formula: C82 H117 Cl2 N16 O10.5
• Calculated formula: C80.75 H112 Cl2 N16 O10.25
• Title of publication: Chloride coordination by oligoureas: from mononuclear crescents to dinuclear foldamers.
• Authors of publication: Wu, Biao; Jia, Chuandong; Wang, Xiaolei; Li, Shaoguang; Huang, Xiaojuan; Yang, Xiao-Juan
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 684 - 687
• a: 13.469 ± 0.002 Å
• b: 13.882 ± 0.002 Å
• c: 24.624 ± 0.004 Å
• α: 85.928 ± 0.002°
• β: 86.382 ± 0.002°
• γ: 71.005 ± 0.002°
• Cell volume: 4338.5 ± 1.1 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: 0.1409
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.3055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No