Information card for entry 1505832

Structure parameters

• Formula: C34 H40 F4
• Calculated formula: C34 H40 F4
• SMILES: Fc1c2cc3cc4c(ccc(c4cc3cc2c(F)c(F)c1F)CCCCCCCC)CCCCCCCC
• Title of publication: Syntheses of soluble, pi-stacking tetracene derivatives.
• Authors of publication: Chen, Zhihua; Müller, Peter; Swager, Timothy M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 273 - 276
• a: 4.9461 ± 0.0015 Å
• b: 9.748 ± 0.003 Å
• c: 28.705 ± 0.009 Å
• α: 92.905 ± 0.009°
• β: 93.547 ± 0.009°
• γ: 92.621 ± 0.009°
• Cell volume: 1377.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No