Information card for entry 1520659

Structure parameters

• Formula: C22 H32 Cl2 I2 Si2
• Calculated formula: C22 H26 Cl2 I2 Si2
• SMILES: I/C(=C(\Cl)c1c(c(ccc1)/C(=C(I)\[Si](C)(C)C)Cl)c1ccccc1)[Si](C)(C)C
• Title of publication: Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl.
• Authors of publication: Sproul, Kyle C.; Chalifoux, Wesley A.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 13
• Pages of publication: 3334 - 3337
• a: 13.1915 ± 0.0004 Å
• b: 9.4009 ± 0.0003 Å
• c: 22.0383 ± 0.0006 Å
• α: 90°
• β: 106.275 ± 0.001°
• γ: 90°
• Cell volume: 2623.49 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0198
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No