Information card for entry 4037175

Structure parameters

• Formula: C42 H50 N4 S Si2
• Calculated formula: C42 H50 N4 S Si2
• SMILES: [Si](C#Cc1c2c(c(c3c1nsn3)C#C[Si](C(C)C)(C(C)C)C(C)C)nc1ccc3cc4ccccc4cc3c1n2)(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: 8.241 ± 0.003 Å
• b: 14.201 ± 0.005 Å
• c: 17.856 ± 0.006 Å
• α: 68.71 ± 0.008°
• β: 80.696 ± 0.008°
• γ: 74.394 ± 0.008°
• Cell volume: 1870.5 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1658
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No