Information card for entry 4034705

Structure parameters

• Formula: C42 H57 Cl2 N5 O S Si2
• Calculated formula: C42 H57 Cl2 N5 O S Si2
• SMILES: c1(c2c(c(c3c1[nH]c(c1cc(c(cc1C(=O)NC1CCCCC1)Cl)Cl)n3)C#C[Si](C(C)C)(C(C)C)C(C)C)nsn2)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Unexpected Synthesis, Properties, and Nonvolatile Memory Device Application of Imidazole-Fused Azaacenes.
• Authors of publication: Zhao, Kexiang; Yu, Fei; Liu, Wenbo; Huang, Yinjuan; Said, Ahmed Ali; Li, Yang; Zhang, Qichun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 13.389 ± 0.0005 Å
• b: 15.2225 ± 0.0006 Å
• c: 22.965 ± 0.0008 Å
• α: 81.3234 ± 0.0012°
• β: 80.0883 ± 0.0013°
• γ: 70.721 ± 0.0013°
• Cell volume: 4329.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1731
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No