Information card for entry 1555019

Structure parameters

• Formula: C32 H4 F26 N4
• Calculated formula: C32 H4 F26 N4
• SMILES: c12c(C(F)(F)F)cc3c4c1c(c(cc4c1cc(c4c5c1c3cc(c5nc(n4)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)nc(n2)C(F)(F)C(F)(F)C(F)(F)F
• Title of publication: Tetralithiated tetraazaperopyrene as a key intermediate for the synthesis of functionalized derivatives.
• Authors of publication: Hahn, Lena; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 9
• Pages of publication: 2266 - 2269
• a: 6.15317 ± 0.00018 Å
• b: 9.3804 ± 0.0003 Å
• c: 13.8177 ± 0.0004 Å
• α: 103.878 ± 0.003°
• β: 100.265 ± 0.002°
• γ: 98.23 ± 0.003°
• Cell volume: 747.31 ± 0.04 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0314
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No