Information card for entry 1505458

Structure parameters

• Formula: C52 H62 Si2
• Calculated formula: C52 H62 Si2
• SMILES: [Si](C#Cc1c2cc(ccc2c(c2cc(ccc12)/C=C/c1ccccc1)C#C[Si](C(C)C)(C(C)C)C(C)C)/C=C/c1ccccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Soluble and easily crystallized anthracene derivatives: precursors of solution-processable semiconducting molecules.
• Authors of publication: Park, Jong-Hwa; Chung, Dae Sung; Park, Jong-Won; Ahn, Taek; Kong, Hoyoul; Jung, Young Kwan; Lee, Jonghee; Yi, Mi Hye; Park, Chan Eon; Kwon, Soon-Ki; Shim, Hong-Ku
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2573 - 2576
• a: 8.4979 ± 0.0001 Å
• b: 11.3921 ± 0.0002 Å
• c: 12.3339 ± 0.0002 Å
• α: 76.88 ± 0.001°
• β: 81.092 ± 0.001°
• γ: 82.806 ± 0.001°
• Cell volume: 1143.79 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No