Information card for entry 1517790

Structure parameters

• Formula: C68 H72 O8
• Calculated formula: C68 H72 O8
• SMILES: O(c1c2cc(cc1)c1ccc(OCC)c(c1)Cc1c(OCC)ccc(c3cc(Cc4c(OCC)ccc(c4)c4cc(c(OCC)cc4)Cc4c(OCC)ccc(c5cc(C2)c(OCC)cc5)c4)c(OCC)cc3)c1)CC
• Title of publication: Biphen[n]arenes
• Authors of publication: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 197
• a: 11.5532 ± 0.0019 Å
• b: 30.664 ± 0.005 Å
• c: 7.71 ± 0.0013 Å
• α: 90°
• β: 90.771 ± 0.003°
• γ: 90°
• Cell volume: 2731.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No