Information card for entry 4113219

Structure parameters

• Common name: trans di-chloro tetracene
• Formula: C18 H10 Cl2
• Calculated formula: C18 H10 Cl2
• SMILES: Clc1c2c(cccc2)cc2c1cc1c(c2Cl)cccc1
• Title of publication: Synthesis, Crystal Structure, and Transistor Performance of Tetracene Derivatives
• Authors of publication: Hyunsik Moon; Roswitha Zeis; Evert-Jan Borkent; Celine Besnard; Andrew J. Lovinger; Theo Siegrist; Christian Kloc; Zhenan Bao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 15322 - 15323
• a: 3.8607 ± 0.0012 Å
• b: 8.664 ± 0.003 Å
• c: 19.686 ± 0.005 Å
• α: 93.37 ± 0.03°
• β: 92.02 ± 0.02°
• γ: 99.47 ± 0.03°
• Cell volume: 647.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2283
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 0.713
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No