Information card for entry 4037174

Structure parameters

• Formula: C50 H56 N2 Si2
• Calculated formula: C50 H56 N2 Si2
• SMILES: c1(c2nc3ccc4cc5ccccc5cc4c3nc2c(c2cc3ccccc3cc12)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: Bent N-Heteroarenes.
• Authors of publication: Hahn, Sebastian; Geyer, Florian L.; Koser, Silke; Tverskoy, Olena; Rominger, Frank; Bunz, Uwe H. F.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8485 - 8494
• a: 13.744 ± 0.012 Å
• b: 17.701 ± 0.015 Å
• c: 19.206 ± 0.016 Å
• α: 104.207 ± 0.019°
• β: 90.814 ± 0.017°
• γ: 97.893 ± 0.019°
• Cell volume: 4481 ± 7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.2939
• Residual factor for significantly intense reflections: 0.2307
• Weighted residual factors for significantly intense reflections: 0.5188
• Weighted residual factors for all reflections included in the refinement: 0.5534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No