Information card for entry 7056903

Structure parameters

• Formula: C40 H48 N2
• Calculated formula: C40 H48 N2
• SMILES: C(=N\c1c(cccc1C(C)C)C(C)C)(c1ccccc1)\CCC(=N\c1c(cccc1C(C)C)C(C)C)/c1ccccc1
• Title of publication: Azasilicon-bridged heterocyclic arylamines: syntheses, structures and photophysical properties
• Authors of publication: Yuan, Shifang; Wang, Lijing; Huang, Chuanbing; Niu, Chunxia; Xiang, Kai; Xu, Caihong; Solan, Gregory A.; Ma, Hongwei; Sun, Wen-Hua
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 3102
• a: 8.839 ± 0.003 Å
• b: 12.054 ± 0.004 Å
• c: 16.055 ± 0.007 Å
• α: 90°
• β: 100.7 ± 0.04°
• γ: 90°
• Cell volume: 1680.8 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No