Information card for entry 4023339

Structure parameters

• Common name: compound 4
• Chemical name: 1,8-bis(2-tert-butylphenyl)biphenylene
• Formula: C32 H32
• Calculated formula: C32 H32
• Title of publication: Arylbiphenylene Atropisomers: Structure, Conformation, Stereodynamics, and Absolute Configuration
• Authors of publication: Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2198 - 2205
• a: 10.132 ± 0.006 Å
• b: 11.507 ± 0.006 Å
• c: 21.32 ± 0.012 Å
• α: 90°
• β: 95.982 ± 0.007°
• γ: 90°
• Cell volume: 2472 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1464
• 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: Yes
• Has Fobs: No