Information card for entry 1555658

Structure parameters

• Formula: C156 H286 Cd7 Cl20 Dy2 N104 O133
• Calculated formula: C156 H156 Cd7 Cl20 Dy2 N104 O68
• Title of publication: Twisted Cucurbit[n]urils.
• Authors of publication: Li, Qing; Qiu, Sheng-Chao; Zhang, Jing; Chen, Kai; Huang, Ying; Xiao, Xin; Zhang, Yingjie; Li, Feng; Zhang, Yun-Qian; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu; Lindoy, Leonard F.; Wei, Gang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 4020 - 4023
• a: 18.217 ± 0.004 Å
• b: 52.952 ± 0.011 Å
• c: 17.532 ± 0.004 Å
• α: 90°
• β: 110.13 ± 0.03°
• γ: 90°
• Cell volume: 15879 ± 7 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• 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: 0.1117
• Residual factor for significantly intense reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.2967
• Weighted residual factors for all reflections included in the refinement: 0.3015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: silicondoublecrystalmonochromatedsynchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No