Information card for entry 2234396

Structure parameters

• Chemical name: 6,6-Dimethyl-2<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-1,3- dithiolo[4,5-<i>f</i>][1,5,3]dithiasilepin-2-one
• Formula: C7 H10 O S4 Si
• Calculated formula: C7 H10 O S4 Si
• SMILES: C1(=O)SC2=C(S1)SC[Si](CS2)(C)C
• Title of publication: 6,6-Dimethyl-2<i>H</i>,5<i>H</i>,6<i>H</i>,7<i>H</i>-1,3-dithiolo[4,5-<i>f</i>][1,5,3]dithiasilepin-2-one
• Authors of publication: Li, Hongqi; Zhang, Xuebin; Zhang, Zhongbao; Chen, Zhen; Peng, Jiajian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1122
• a: 6.148 ± 0.007 Å
• b: 8.569 ± 0.01 Å
• c: 11.846 ± 0.014 Å
• α: 69.292 ± 0.012°
• β: 85.821 ± 0.013°
• γ: 83.129 ± 0.013°
• Cell volume: 579.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes