Information card for entry 4028721

Structure parameters

• Formula: C62 H56 F12 N4 Si2
• Calculated formula: C62 H56 F12 N4 Si2
• SMILES: [Si](C#Cc1c2Nc3c(F)c4c(c5c(F)c(F)c(F)c(F)c5c(c4c(F)c3Nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(C(C)C)(C(C)C)C(C)C
• Title of publication: Partially Fluorinated Tetraazaacenes by Nucleophilic Aromatic Substitution
• Authors of publication: Jens U. Engelhart; Benjamin D. Lindner; Olena Tverskoy; Frank Rominger; Uwe H. F. Bunz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10832 - 10839
• a: 9.873 ± 0.004 Å
• b: 14.973 ± 0.006 Å
• c: 38.333 ± 0.014 Å
• α: 90°
• β: 91.692 ± 0.012°
• γ: 90°
• Cell volume: 5664 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.1702
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No