Information card for entry 7227710

Structure parameters

• Formula: C19 H12 N4 O
• Calculated formula: C19 H12 N4 O
• SMILES: O(c1c(cc2c3c(n(c2c1)C)cccc3)C(=C(C#N)C#N)C#N)C
• Title of publication: Tuning the ambipolar charge transport properties of tricyanovinyl-substituted carbazole-based materials.
• Authors of publication: Reig, Marta; Bagdziunas, Gintautas; Volyniuk, Dmytro; Grazulevicius, Juozas V.; Velasco, Dolores
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 6721 - 6730
• a: 6.8946 ± 0.0009 Å
• b: 16.799 ± 0.002 Å
• c: 13.329 ± 0.002 Å
• α: 90°
• β: 93.493 ± 0.006°
• γ: 90°
• Cell volume: 1540.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1112
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No