Information card for entry 4076926

Structure parameters

• Common name: 1,3-cis-4,5,6,7-Tetrachloro-1-(silylmethyl)-3-(2,3,4,5-tetrachlorophenyl)indane
• Chemical name: 1,3-cis-4,5,6,7-Tetrachloro-1-(silylmethyl)-3-(2,3,4,5-tetrachlorophenyl)indane
• Formula: C16 H10 Cl8 Si
• Calculated formula: C16 H10 Cl8 Si
• SMILES: [SiH3]C[C@@H]1C[C@@H](c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1cc(Cl)c(Cl)c(Cl)c1Cl.[SiH3]C[C@H]1C[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: 8.3997 ± 0.0002 Å
• b: 11.3458 ± 0.0003 Å
• c: 11.4398 ± 0.0003 Å
• α: 68.453 ± 0.001°
• β: 84.31 ± 0.001°
• γ: 85.678 ± 0.002°
• Cell volume: 1008.15 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No