Information card for entry 1506591

Structure parameters

• Formula: C19 H3 F15 O Si
• Calculated formula: C19 H3 F15 O Si
• SMILES: [Si](OC)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.
• Authors of publication: Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2913 - 2915
• a: 10.692 ± 0.004 Å
• b: 11.712 ± 0.005 Å
• c: 16.162 ± 0.006 Å
• α: 91.492 ± 0.008°
• β: 99.888 ± 0.008°
• γ: 99.806 ± 0.008°
• Cell volume: 1961.5 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No