Information card for entry 1503545

Structure parameters

• Formula: C43 H58 Cl N9 O7
• Calculated formula: C43 H22 Cl N9 O7
• 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: 13.673 ± 0.004 Å
• b: 13.729 ± 0.004 Å
• c: 14.697 ± 0.005 Å
• α: 75.33 ± 0.003°
• β: 69.249 ± 0.003°
• γ: 78.752 ± 0.004°
• Cell volume: 2478.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1613
• Residual factor for significantly intense reflections: 0.133
• Weighted residual factors for significantly intense reflections: 0.3715
• Weighted residual factors for all reflections included in the refinement: 0.4075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.533
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No