Information card for entry 1565914

Structure parameters

• Formula: C108 H128 Cl4 N12 O26
• Calculated formula: C108 H128 Cl4 N12 O26
• Title of publication: Ultramacrocyclization in water via external templation
• Authors of publication: Chen, Qiong; Lei, Ye; Wu, Guangcheng; Li, Qing; Pan, Yuanjiang; Li, Hao
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 798 - 803
• a: 13.6939 ± 0.0009 Å
• b: 19.0018 ± 0.0012 Å
• c: 50.945 ± 0.003 Å
• α: 90°
• β: 90.412 ± 0.004°
• γ: 90°
• Cell volume: 13256 ± 1.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2392
• Residual factor for significantly intense reflections: 0.1224
• Weighted residual factors for significantly intense reflections: 0.3055
• Weighted residual factors for all reflections included in the refinement: 0.3812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No