Information card for entry 4076699

Structure parameters

• Chemical name: 1-(dimesitylboryl)-8-(dimethylboryl)naphthalene ?
• Formula: C30 H34 B2
• Calculated formula: C30 H34 B2
• SMILES: B(c1cccc2cccc(B(c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)c12)(C)C
• Title of publication: Synthesis of 1,8-Diborylnaphthalenes by the Ring-Opening Reaction of a New Anionic Boron-Bridged Naphthalene Derivative
• Authors of publication: Hoefelmeyer, James D.; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 982
• a: 8.2988 ± 0.0013 Å
• b: 19.918 ± 0.003 Å
• c: 14.876 ± 0.002 Å
• α: 90°
• β: 98.096 ± 0.003°
• γ: 90°
• Cell volume: 2434.4 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• 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: 0.1576
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No