Information card for entry 1503487

Structure parameters

• Formula: C54 H66 S2 Si2
• Calculated formula: C54 H66 S2 Si2
• SMILES: s1c2ccccc2c2cc3c(c4cc5c6ccccc6sc5cc4c(c3cc12)C#C[Si](CCCC)(CCCC)CCCC)C#C[Si](CCCC)(CCCC)CCCC
• Title of publication: Synthesis and properties of isomerically pure anthrabisbenzothiophenes.
• Authors of publication: Lehnherr, Dan; Hallani, Rawad; McDonald, Robert; Anthony, John E.; Tykwinski, Rik R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 62 - 65
• a: 8.9292 ± 0.0004 Å
• b: 15.2194 ± 0.0006 Å
• c: 18.4144 ± 0.0008 Å
• α: 83.0261 ± 0.0005°
• β: 76.3552 ± 0.0005°
• γ: 88.7465 ± 0.0005°
• Cell volume: 2413.78 ± 0.18 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: 0.0602
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No