Information card for entry 1555018

Structure parameters

• Formula: C76 H112 F14 N4 Sn4
• Calculated formula: C76 H112 F14 N4 Sn4
• SMILES: c12c(cc3c4c1c(nc(n2)C(F)(F)C(F)(F)C(F)(F)F)c(cc4c1cc(c2c4c1c3cc(c4nc(n2)C(F)(F)C(F)(F)C(F)(F)F)[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC
• 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: 10.7975 ± 0.0005 Å
• b: 11.121 ± 0.0004 Å
• c: 17.986 ± 0.0005 Å
• α: 82.945 ± 0.002°
• β: 76.059 ± 0.003°
• γ: 70.925 ± 0.004°
• Cell volume: 1978.74 ± 0.14 ų
• Cell temperature: 115 ± 1 K
• Ambient diffraction temperature: 115 ± 1 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: 0.0704
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No