Information card for entry 1545992

Structure parameters

• Formula: C46 H70 N6 O17
• Calculated formula: C46 H70 N6 O17
• SMILES: c1(cc(c(cc1N(=O)=O)NC(=O)Nc1c(cc(c(c1)NC(=O)Nc1c(cc(c(c1)N(=O)=O)OCC(C)C)OCC(C)C)OCCOCCOC)OCCOCCOC)OCC(C)C)OCC(C)C.O
• Title of publication: Helical Folding of Meta-Connected Aromatic Oligoureas.
• Authors of publication: Hu, Ting; Connor, Alan L.; Miller, Daniel P.; Wang, Xiao; Pei, Qiang; Liu, Rui; He, Lan; Zheng, Chong; Zurek, Eva; Lu, Zhong-Lin; Gong, Bing
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2666 - 2669
• a: 11.689 ± 0.004 Å
• b: 14.24 ± 0.004 Å
• c: 17.345 ± 0.005 Å
• α: 112.693 ± 0.004°
• β: 101.236 ± 0.005°
• γ: 97.554 ± 0.005°
• Cell volume: 2543.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0959
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No