Information card for entry 1517196

Structure parameters

• Formula: C19 H16 N4 O2
• Calculated formula: C19 H16 N4 O2
• SMILES: O(Cc1nnn(Cc2ccc(C#N)cc2)c1)c1ccc(C(=O)C)cc1
• Title of publication: New cyanopyridone based luminescent liquid crystalline materials: synthesis and characterization.
• Authors of publication: N, Ahipa T; Adhikari, Airody Vasudeva
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 11
• Pages of publication: 1496 - 1508
• a: 20.3809 ± 0.0014 Å
• b: 5.594 ± 0.0004 Å
• c: 15.3584 ± 0.0011 Å
• α: 90°
• β: 105.915 ± 0.004°
• γ: 90°
• Cell volume: 1683.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No