Information card for entry 7033983

Structure parameters

• Formula: C238.05 H334.2 Al6 N6.6 O24
• Calculated formula: C238.05 H334.2 Al6 N6.6 O24
• Title of publication: Bulky metallocavitands with a chiral cavity constructed by aluminum and magnesium atrane-likes: enantioselective recognition and separation of racemic alcohols.
• Authors of publication: Li, Yingguo; Yu, Dawei; Dai, Zhongran; Zhang, Jinjin; Shao, Yongliang; Tang, Ning; Wu, Jincai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5692 - 5702
• a: 17.0608 ± 0.0006 Å
• b: 18.6696 ± 0.0006 Å
• c: 19.2836 ± 0.0008 Å
• α: 80.388 ± 0.003°
• β: 75.485 ± 0.003°
• γ: 88.132 ± 0.003°
• Cell volume: 5862.4 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2061
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No