Information card for entry 4037177

Structure parameters

• Formula: C37 H50 N2 Si2
• Calculated formula: C37 H50 N2 Si2
• SMILES: [Si](C#Cc1c2nc3Cc4ccccc4c3nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc1)(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: 8.8801 ± 0.001 Å
• b: 18.143 ± 0.002 Å
• c: 21.186 ± 0.003 Å
• α: 90°
• β: 96.813 ± 0.002°
• γ: 90°
• Cell volume: 3389.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No