Information card for entry 4111084

Structure parameters

• Chemical name: 3,3,4,4,8,8,9,9-Octamethyl-1,6-diselena-3,4,8,9-tetrasilacyclodecane
• Formula: C12 H32 Se2 Si4
• Calculated formula: C12 H32 Se2 Si4
• SMILES: [Se]1C[Si](C)(C)[Si](C[Se]C[Si](C)(C)[Si](C1)(C)C)(C)C
• Title of publication: Synthesis, Structure, and Chemistry of New, Mixed Group 14 and 16 Heterocycles: Nucleophile-Induced Ring Contraction of Mesocyclic Dications
• Authors of publication: Eric Block; Evgeny V. Dikarev; Richard S. Glass; Jin Jin; Bo Li; Xiaojie Li; Shao-Zhong Zhang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 14949 - 14961
• a: 6.2293 ± 0.0004 Å
• b: 8.0571 ± 0.0005 Å
• c: 11.4887 ± 0.0007 Å
• α: 103.891 ± 0.001°
• β: 94.182 ± 0.001°
• γ: 107.231 ± 0.001°
• Cell volume: 528.14 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0193
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No