Information card for entry 7153775

Structure parameters

• Formula: C18 H24 S4 Si2
• Calculated formula: C18 H24 S4 Si2
• SMILES: [Si](C#CC1=C(SC(S1)=C1SC(=C(S1)C)C)C#C[Si](C)(C)C)(C)(C)C
• Title of publication: Tetrathiafulvalene mono- and bis-1,2,3-triazole precursors by click chemistry: structural diversity and reactivity.
• Authors of publication: Biet, Thomas; Avarvari, Narcis
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 3167 - 3174
• a: 6.3081 ± 0.0014 Å
• b: 8.1474 ± 0.0016 Å
• c: 22.67 ± 0.005 Å
• α: 94.79 ± 0.03°
• β: 96.73 ± 0.02°
• γ: 92.57 ± 0.02°
• Cell volume: 1151.3 ± 0.4 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: 0.1165
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No