Information card for entry 1507174

Structure parameters

• Formula: C42 H24 O12
• Calculated formula: C42 H24 O12
• Title of publication: per-Hydroxylated Pillar[6]arene: Synthesis, X-ray Crystal Structure, and Host-Guest Complexation.
• Authors of publication: Ma, Yingjie; Chi, Xiaodong; Yan, Xuzhou; Liu, Jiyong; Yao, Yong; Chen, Weixiang; Huang, Feihe; Hou, Jun-Li
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1532 - 1535
• a: 13.5604 ± 0.0005 Å
• b: 13.5604 ± 0.0005 Å
• c: 9.2104 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1466.74 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 175
• Hermann-Mauguin space group symbol: P 6/m
• Hall space group symbol: -P 6
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.3783
• Weighted residual factors for all reflections included in the refinement: 0.3902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.806
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No