Information card for entry 7118506

Structure parameters

• Formula: C38 H43 Cl3 O8
• Calculated formula: C38 H43 Cl3 O8
• SMILES: O(c1c2Cc3c(OC)c(Cc4c(OC)cc(OC)c(Cc5c(OCC)ccc(c(cc1)c2)c5)c4OC)c(OC)cc3OC)CC.ClC(Cl)Cl
• Title of publication: The synthesis, structure, and molecular recognition properties of a [2]calix[1]biphenyl-type hybrid[3]arene.
• Authors of publication: Zhou, Jiong; Yang, Jie; Hua, Bin; Shao, Li; Zhang, Zhihua; Yu, Guocan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1622 - 1624
• a: 28.118 ± 0.0013 Å
• b: 14.1732 ± 0.0006 Å
• c: 19.5603 ± 0.0011 Å
• α: 90°
• β: 106.288 ± 0.005°
• γ: 90°
• Cell volume: 7482.3 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0987
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No