Information card for entry 1503016

Structure parameters

• Formula: C65 H90 O10
• Calculated formula: C65 H90 O10
• SMILES: O(c1cc2c(OCCCCCCCC)cc1Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)Cc1c(OC)cc(c(OC)c1)C2)CCCCCCCC.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: 12.1826 ± 0.0002 Å
• b: 13.2648 ± 0.0002 Å
• c: 19.6464 ± 0.0003 Å
• α: 73.314 ± 0.002°
• β: 83.977 ± 0.001°
• γ: 76.654 ± 0.002°
• Cell volume: 2956.49 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No