Information card for entry 1513826

Structure parameters

• Formula: C10 H23 Br F2 O3 Si Zn
• Calculated formula: C10 H23 Br F2 O3 Si Zn
• SMILES: Br[Zn]12([O](C)CC[O]1CC[O]2C)C([Si](C)(C)C)(F)F
• Title of publication: Geminal Silicon/Zinc Reagent as an Equivalent of Difluoromethylene Bis-carbanion.
• Authors of publication: Kosobokov, Mikhail D.; Levin, Vitalij V.; Zemtsov, Artem A.; Struchkova, Marina I.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Dilman, Alexander D.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 1438 - 1441
• a: 7.1144 ± 0.0005 Å
• b: 26.573 ± 0.002 Å
• c: 9.7522 ± 0.0007 Å
• α: 90°
• β: 101.267 ± 0.002°
• γ: 90°
• Cell volume: 1808.1 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.123
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No