Information card for entry 4030301

Structure parameters

• Formula: C34 H48 N2 Si2
• Calculated formula: C34 H48 N2 Si2
• SMILES: c12ccccc1nc1c(ccc(c1n2)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Soluble Diazaiptycenes: Materials for Solution-Processed Organic Electronics.
• Authors of publication: Biegger, Philipp; Stolz, Sebastian; Intorp, Sebastian N.; Zhang, Yexiang; Engelhart, Jens U.; Rominger, Frank; Hardcastle, Kenneth I.; Lemmer, Uli; Qian, Xuhong; Hamburger, Manuel; Bunz, U. H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 582
• a: 7.5797 ± 0.0017 Å
• b: 17.349 ± 0.003 Å
• c: 26.474 ± 0.004 Å
• α: 103.24 ± 0.015°
• β: 98.052 ± 0.015°
• γ: 93.741 ± 0.015°
• Cell volume: 3338.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2515
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.2187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No