Information card for entry 1505834

Structure parameters

• Formula: C34 H40 F4
• Calculated formula: C34 H40 F4
• SMILES: c1(F)c(F)c(F)c(F)c2cc3c(CCCCCCCC)c4ccccc4c(CCCCCCCC)c3cc12
• 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: 7.9507 ± 0.0013 Å
• b: 16.883 ± 0.003 Å
• c: 22.692 ± 0.004 Å
• α: 107.104 ± 0.005°
• β: 99.04 ± 0.005°
• γ: 102.78 ± 0.005°
• Cell volume: 2757.3 ± 0.8 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: 0.1291
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No