Information card for entry 7108544

Structure parameters

• Formula: C99 H126 O18
• Calculated formula: C99 H126 O18
• Title of publication: Pillar[n]arenes (n = 8-10) with two cavities: synthesis, structures and complexing properties
• Authors of publication: Jun-Li Hou; Xiao-Bo Hu; Zhenxia Chen; Lei Chen; Ling Zhang; Zhan-Ting Li
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10999
• a: 11.872 ± 0.003 Å
• b: 43.653 ± 0.011 Å
• c: 21.478 ± 0.005 Å
• α: 90°
• β: 97.396 ± 0.004°
• γ: 90°
• Cell volume: 11038 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.1098
• Weighted residual factors for significantly intense reflections: 0.3368
• Weighted residual factors for all reflections included in the refinement: 0.3564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No