Information card for entry 1503014

Structure parameters

• Formula: C53 H66 Cl4 O10
• Calculated formula: C53 H66 Cl4 O10
• SMILES: ClCCl.ClCCl.O(c1cc2c(OC)cc1Cc1cc(OC)c(cc1OC)Cc1cc(OCCCC)c(Cc3c(OC)cc(Cc4c(OC)cc(C2)c(OC)c4)c(OC)c3)cc1OCCCC)C
• 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: 11.311 ± 0.002 Å
• b: 21.467 ± 0.004 Å
• c: 21.439 ± 0.004 Å
• α: 90°
• β: 103.77 ± 0.03°
• γ: 90°
• Cell volume: 5056.1 ± 1.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No