Information card for entry 1504925

Structure parameters

• Formula: C13 H16 O Si
• Calculated formula: C13 H16 O Si
• SMILES: [Si]([C@@H]1[C@@H]2[C@H]1C(=O)c1c2cccc1)(C)(C)C.[Si]([C@H]1[C@H]2[C@@H]1C(=O)c1c2cccc1)(C)(C)C
• Title of publication: Synthesis of substituted naphthalenes via a catalytic ring-expansion rearrangement.
• Authors of publication: Glass, Adam C.; Morris, Benjamin B.; Zakharov, Lev N.; Liu, Shih-Yuan
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 21
• Pages of publication: 4855 - 4857
• a: 9.5789 ± 0.0012 Å
• b: 12.6743 ± 0.0016 Å
• c: 10.9538 ± 0.0014 Å
• α: 90°
• β: 108.965 ± 0.002°
• γ: 90°
• Cell volume: 1257.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No