Information card for entry 7126957

Structure parameters

• Formula: C132 H158 Cl6 N4 O28
• Calculated formula: C132 H158 Cl6 N4 O28
• SMILES: ClC(Cl)Cl.ClC(Cl)Cl.O(c1cc2Cc3c4Oc5cc(Oc6c7cc(Oc8c(N(=O)=O)cc(N(=O)=O)c(Oc(c(Cc9c(OCCC)cc(Cc%10c(OCCC)cc(Cc%11c(OCCC)cc(Cc1cc2OCCC)c(OCCC)c%11)c(OCCC)c%10)c(OCCC)c9)c4)c3)c8)c(c6)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)Cc1c(OCCC)cc(c(OCCC)c1)C7)c(N(=O)=O)cc5N(=O)=O)CCC
• Title of publication: Oxacalix[4]arene-bridged pillar[5]arene dimers: syntheses, planar chirality and construction of chiral rotaxanes.
• Authors of publication: Wan, Kang; Gao, Shi-Chang; Fang, Xu; Xu, Meng-Yu; Yang, Yong; Xue, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 70
• Pages of publication: 10155 - 10158
• a: 14.4932 ± 0.0011 Å
• b: 21.9303 ± 0.0016 Å
• c: 24.2711 ± 0.0018 Å
• α: 85.199 ± 0.002°
• β: 74.81 ± 0.002°
• γ: 83.34 ± 0.002°
• Cell volume: 7383.1 ± 1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.2653
• Weighted residual factors for all reflections included in the refinement: 0.301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No