Information card for entry 7227666

Structure parameters

• Formula: C34 H50 B2 O4
• Calculated formula: C34 H50 B2 O4
• SMILES: B1(/C(=C(\B2OC(C)(C)C(C)(C)O2)c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)OC(C)(C)C(C)(C)O1
• Title of publication: Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers
• Authors of publication: Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 18
• Pages of publication: 10763
• a: 10.991 ± 0.018 Å
• b: 12.54 ± 0.02 Å
• c: 13.97 ± 0.04 Å
• α: 108.83 ± 0.05°
• β: 103.58 ± 0.05°
• γ: 104.77 ± 0.03°
• Cell volume: 1653 ± 6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No