Information card for entry 1508591

Structure parameters

• Formula: C51 H38 N2 O2 Si2
• Calculated formula: C51 H38 N2 O2 Si2
• SMILES: [Si](c1ccc(cc1)c1oc(nn1)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.OC
• Title of publication: 1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes
• Authors of publication: Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao
• Journal of publication: Organic Letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 4986 - 4989
• a: 42.5612 ± 0.0009 Å
• b: 11.6354 ± 0.0003 Å
• c: 18.685 ± 0.0005 Å
• α: 90°
• β: 106.238 ± 0.002°
• γ: 90°
• Cell volume: 8884 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.2334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No