Information card for entry 7056900

Structure parameters

• Formula: C44 H56 N2 Si2
• Calculated formula: C44 H56 N2 Si2
• SMILES: c1(N2[Si](C)(C)C3C(=C2c2ccccc2)[Si](N(C=3c2ccccc2)c2c(cccc2C(C)C)C(C)C)(C)C)c(cccc1C(C)C)C(C)C
• 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: 8.234 ± 0.007 Å
• b: 9.416 ± 0.006 Å
• c: 13.972 ± 0.011 Å
• α: 82.68 ± 0.05°
• β: 76.62 ± 0.07°
• γ: 69.13 ± 0.07°
• Cell volume: 983.5 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No