Information card for entry 4076924

Structure parameters

• Common name: 1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trichlorosilyl-3-(trichlorosilylmethyl)indane
• Chemical name: 1,2-trans-2,3-trans-4,5,6,7-Tetrachloro-1-(2,3,4,5-tetrachlorophenyl) -2-trichlorosilyl-3-(trichlorosilylmethyl)indane
• Formula: C16 H6 Cl14 Si2
• Calculated formula: C16 H6 Cl14 Si2
• SMILES: [Si](Cl)(Cl)(Cl)C[C@H]1[C@H]([Si](Cl)(Cl)Cl)[C@H](c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl.[Si](Cl)(Cl)(Cl)C[C@@H]1[C@@H]([Si](Cl)(Cl)Cl)[C@@H](c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl
• Title of publication: Friedel−Crafts Alkylation of Polychlorobenzenes with (1,2-Dichloroethyl)trichlorosilane
• Authors of publication: Han, Joon Soo; Lim, Weon Cheol; Yoo, Bok Ryul; Jin, Jung-Il; Jung, Il Nam
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 3803
• a: 8.751 ± 0.002 Å
• b: 12.11 ± 0.003 Å
• c: 13.516 ± 0.004 Å
• α: 81.684 ± 0.005°
• β: 84.035 ± 0.005°
• γ: 76.512 ± 0.005°
• Cell volume: 1374.5 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No