Information card for entry 7207502

Structure parameters

• Formula: C18 H6 Cl2 N2 O2
• Calculated formula: C18 H6 Cl2 N2 O2
• SMILES: c1c(Cl)ccc2c1C(=O)c1c2nc2C(=O)c3cc(ccc3c2n1)Cl
• Title of publication: Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives
• Authors of publication: Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 4483
• a: 6.732 ± 0.01 Å
• b: 7.648 ± 0.013 Å
• c: 13.372 ± 0.019 Å
• α: 90°
• β: 94.23 ± 0.06°
• γ: 90°
• Cell volume: 686.6 ± 1.8 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No