Information card for entry 7110766

Structure parameters

• Formula: C13 H24 O2 S2 Si
• Calculated formula: C13 H24 O2 S2 Si
• SMILES: [Si](C1=CS(=O)(=O)C=CS1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Oligoacetylenic sulfides
• Authors of publication: Lee, Albert W. M.; Yeung, Anissa B. W.; Yuen, Mabel S. M.; Zhang, H.; Zhao, X.; Wong, W. Y.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 75
• a: 7.9504 ± 0.0005 Å
• b: 15.8566 ± 0.001 Å
• c: 16.0012 ± 0.001 Å
• α: 118.632 ± 0.001°
• β: 98.449 ± 0.001°
• γ: 97.355 ± 0.001°
• Cell volume: 1704.97 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0551
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No