Information card for entry 1518370

Structure parameters

• Chemical name: 3,6-bis(1,1-dimethylethyl)-9-(3-(1,1dimethylethyl)-2-hydroxy-5-methoxyphenyl)- 2-hydroxy-8-methoxydibenzo[b,d]furan
• Formula: C65 H82 Cl2 O10
• Calculated formula: C65 H82 Cl2 O10
• Title of publication: Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes.
• Authors of publication: Elsler, B.; Schollmeyer, D.; Waldvogel, S. R.
• Journal of publication: Faraday discussions
• Year of publication: 2014
• Journal volume: 172
• Pages of publication: 413 - 420
• a: 27.352 ± 0.0012 Å
• b: 10.715 ± 0.0005 Å
• c: 24.122 ± 0.0013 Å
• α: 90°
• β: 121.948 ± 0.0011°
• γ: 90°
• Cell volume: 5998.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.077
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No