Information card for entry 1546290

Structure parameters

• Formula: C13 H14 Br2 Si
• Calculated formula: C13 H14 Br2 Si
• SMILES: Brc1c([Si](C)(C)C)cc2cc(Br)ccc2c1
• Title of publication: Rapid Access to Substituted 2-Naphthyne Intermediates via the Benzannulation of Halogenated Silylacetylenes
• Authors of publication: Hein, Samuel J.; Lehnherr, Dan; Dichtel, William
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 7.1961 ± 0.0004 Å
• b: 7.4763 ± 0.0004 Å
• c: 26.1123 ± 0.0014 Å
• α: 90°
• β: 95.1754 ± 0.0014°
• γ: 90°
• Cell volume: 1399.12 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No