Information card for entry 7105769

Structure parameters

• Formula: C28 H36
• Calculated formula: C28 H36
• Title of publication: Pushing the limits of steric demand around a biaryl axis: Synthesis of tetra-ortho-substituted biaryl naphthalenes
• Authors of publication: Adam Glass; Sam Klonoski; Lev Zakharov; Shih-Yuan Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 286
• a: 16.297 ± 0.004 Å
• b: 9.649 ± 0.002 Å
• c: 29.806 ± 0.007 Å
• α: 90°
• β: 95.118 ± 0.004°
• γ: 90°
• Cell volume: 4668.3 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1209
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No