Information card for entry 1503015

Structure parameters

• Formula: C81 H124 O10
• Calculated formula: C81 H124 O10
• SMILES: O(CCCC)c1cc2Cc3cc(OCCCC)c(Cc4cc(OCCCC)c(Cc5cc(OCCCC)c(Cc6cc(OCCCC)c(Cc1cc2OCCCC)cc6OCCCC)cc5OCCCC)cc4OCCCC)cc3OCCCC.CCCCCC
• Title of publication: Syntheses of copillar[5]arenes by co-oligomerization of different monomers.
• Authors of publication: Zhang, Zibin; Xia, Binyuan; Han, Chengyou; Yu, Yihua; Huang, Feihe
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 3285 - 3287
• a: 12.187 ± 0.002 Å
• b: 14.65 ± 0.003 Å
• c: 22.05 ± 0.004 Å
• α: 87.84 ± 0.03°
• β: 87.6 ± 0.03°
• γ: 72.39 ± 0.03°
• Cell volume: 3747.7 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No