Information card for entry 4028725

Structure parameters

• Formula: C44 H48 F6 N4 Si2
• Calculated formula: C44 H48 F6 N4 Si2
• SMILES: [Si](C#Cc1c2Nc3c(c4c(c(c(c(c4c(c3Nc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2nc3ccccc3nc12)F)F)F)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: 7.7917 ± 0.0009 Å
• b: 16.4403 ± 0.0019 Å
• c: 17.186 ± 0.002 Å
• α: 76.699 ± 0.008°
• β: 89.404 ± 0.009°
• γ: 84.78 ± 0.008°
• Cell volume: 2133.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1823
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No