Information card for entry 1502048

Structure parameters

• Formula: C20 H10 N2
• Calculated formula: C20 H10 N2
• SMILES: N#Cc1c2ccccc2c(c2c1cc1ccccc1c2)C#N
• Title of publication: Synthesis, properties, and ambipolar organic field-effect transistor performances of symmetrically cyanated pentacene and naphthacene as air-stable acene derivatives.
• Authors of publication: Katsuta, Shuhei; Miyagi, Daichi; Yamada, Hiroko; Okujima, Tetsuo; Mori, Shigeki; Nakayama, Ken-ichi; Uno, Hidemitsu
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1454 - 1457
• a: 3.79021 ± 0.00012 Å
• b: 12.8608 ± 0.0004 Å
• c: 13.5027 ± 0.0004 Å
• α: 94.054 ± 0.002°
• β: 92.358 ± 0.002°
• γ: 91.872 ± 0.002°
• Cell volume: 655.57 ± 0.04 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: 0.1141
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No