Information card for entry 7229633

Structure parameters

• Formula: C21 H16 N4
• Calculated formula: C21 H16 N4
• SMILES: n1(c2ccccc2c2cc(ccc12)C(=C(C#N)C#N)C#N)CCCC
• Title of publication: Solid-state organization of n-type carbazole-based semiconductors for organic thin-film transistors.
• Authors of publication: Reig, Marta; Puigdollers, Joaquim; Velasco, Dolores
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 2
• Pages of publication: 1142 - 1149
• a: 8.7842 ± 0.0007 Å
• b: 24.486 ± 0.002 Å
• c: 8.1096 ± 0.0008 Å
• α: 90°
• β: 110.652 ± 0.003°
• γ: 90°
• Cell volume: 1632.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.13
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No