Information card for entry 4114098

Structure parameters

• Formula: C26 H28 N4 O2
• Calculated formula: C26 H28 N4 O2
• SMILES: N1c2cc3c(cccc3)cc2Nc2c1cc1ccccc1c2.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Synthesis, Assembly, and Thin Film Transistors of Dihydrodiazapentacene: An Isostructural Motif for Pentacene
• Authors of publication: Qian Miao; Thuc-Quyen Nguyen; Takao Someya; Graciela B. Blanchet; Colin Nuckolls
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10284 - 10287
• a: 6.1863 ± 0.0005 Å
• b: 17.08 ± 0.0016 Å
• c: 10.741 ± 0.001 Å
• α: 90°
• β: 99.767 ± 0.002°
• γ: 90°
• Cell volume: 1118.47 ± 0.17 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No