Information card for entry 1516102

Structure parameters

• Formula: C40 H28 N4 O2 Si
• Calculated formula: C40 H28 N4 O2 Si
• SMILES: [Si](c1ccc(c2oc(nn2)c2ccccc2)cc1)(c1ccc(c2oc(nn2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1
• 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: 12.0281 ± 0.0002 Å
• b: 34.2864 ± 0.0005 Å
• c: 7.905 ± 0.0001 Å
• α: 90°
• β: 91.094 ± 0.001°
• γ: 90°
• Cell volume: 3259.43 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Duplicate of: 1508590
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No