Information card for entry 7105768

Structure parameters

• Formula: C25 H28 O2 Si
• Calculated formula: C25 H28 O2 Si
• SMILES: [Si]([C@@H]1[C@@H]2[C@]1([C@](O)(c1c2cccc1)c1c(OC)ccc2ccccc12)C)(C)(C)C.[Si]([C@H]1[C@H]2[C@@]1([C@@](O)(c1c2cccc1)c1c(OC)ccc2ccccc12)C)(C)(C)C
• 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: 7.3361 ± 0.0007 Å
• b: 9.8727 ± 0.0009 Å
• c: 15.9826 ± 0.0015 Å
• α: 77.056 ± 0.002°
• β: 81.204 ± 0.001°
• γ: 74.336 ± 0.002°
• Cell volume: 1080.98 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No