Information card for entry 1565917

Structure parameters

• Formula: C102 H102 Cl2 N38 O25
• Calculated formula: C102 H102 Cl2 N38 O25
• 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: 14.5032 ± 0.0006 Å
• b: 23.2785 ± 0.001 Å
• c: 23.8851 ± 0.0011 Å
• α: 107.441 ± 0.003°
• β: 93.266 ± 0.003°
• γ: 104.627 ± 0.003°
• Cell volume: 7366.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.02 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: 0.2159
• Residual factor for significantly intense reflections: 0.1686
• Weighted residual factors for significantly intense reflections: 0.3688
• Weighted residual factors for all reflections included in the refinement: 0.3908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No