Information card for entry 7108674

Structure parameters

• Formula: C28 H24
• Calculated formula: C28 H24
• SMILES: c1(c2cc3ccccc3cc2c(c2ccccc12)c1ccccc1)CC(C)C
• Title of publication: Palladium-catalyzed highly efficient synthesis of tetracenes and pentacenes
• Authors of publication: Ming Chen; Yifeng Chen; Yuanhong Liu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 12189
• a: 19.0506 ± 0.0016 Å
• b: 9.9398 ± 0.0008 Å
• c: 10.6781 ± 0.0009 Å
• α: 90°
• β: 102.33 ± 0.001°
• γ: 90°
• Cell volume: 1975.4 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No