Information card for entry 7216977

Structure parameters

• Chemical name: 2,2',5,5'-tetramethoxy-4,4'-dimethylbiphenyl
• Formula: C18 H22 O4
• Calculated formula: C18 H22 O4
• Title of publication: Intramolecular (electron) delocalization between aromatic donors and their tethered cation‒radicals. Application of electrochemical and structural probes†
• Authors of publication: Sun, Duoli; Lindeman, Sergey V.; Rathore, Rajendra; Kochi, Jay K.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1585
• a: 22.1995 ± 0.0012 Å
• b: 5.827 ± 0.0003 Å
• c: 12.6965 ± 0.0007 Å
• α: 90°
• β: 109.848 ± 0.002°
• γ: 90°
• Cell volume: 1544.81 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1218
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections: 0.1851
• Weighted residual factors for significantly intense reflections: 0.1374
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for significantly intense reflections: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No