Information card for entry 4032430

Structure parameters

• Common name: C32H26O4
• Formula: C32 H26 O4
• Calculated formula: C32 H26 O4
• SMILES: O(c1c2[C@@H](C=C[C@@H](c2c(OC)cc1)c1ccc(cc1)c1occc1)c1ccc(cc1)c1occc1)C
• Title of publication: Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.
• Authors of publication: Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 8
• Pages of publication: 4458 - 4464
• a: 25.518 ± 0.001 Å
• b: 8.0088 ± 0.0003 Å
• c: 23.3552 ± 0.0009 Å
• α: 90°
• β: 93.9449 ± 0.0012°
• γ: 90°
• Cell volume: 4761.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No