Information card for entry 7050663

Structure parameters

• Common name: 4,6-bis(trimethylsilyl)dibenzothiophene
• Formula: C18 H24 S Si2
• Calculated formula: C18 H24 S Si2
• SMILES: s1c2c(c3c1c([Si](C)(C)C)ccc3)cccc2[Si](C)(C)C
• Title of publication: Synthesis and structure of 4,6-disubstituted dibenzothiophenes and their use in the preparation of binuclear platinum(ii) complexes
• Authors of publication: Chantson, Janine T.; Lotz, Simon; Ichharam, Vimal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 1735
• a: 15.169 ± 0.002 Å
• b: 8.461 ± 0.0013 Å
• c: 15.288 ± 0.002 Å
• α: 90°
• β: 94.228 ± 0.003°
• γ: 90°
• Cell volume: 1956.8 ± 0.5 ų
• Cell temperature: 567 ± 2 K
• Ambient diffraction temperature: 567 ± 2 K
• Number of distinct elements: 4
• 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: 0.0588
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No