Information card for entry 7063198

Structure parameters

• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 N2 O
• Title of publication: 3-Pyridylvinyl benzoxazole derived multifunctional organic materials - from solid state photoreactivity to photophysical and electrochemical properties
• Authors of publication: Baskar, Shyamvarnan; Kole, Goutam Kumar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 6.5833 ± 0.0013 Å
• b: 13.825 ± 0.004 Å
• c: 24.715 ± 0.009 Å
• α: 90°
• β: 91.627 ± 0.009°
• γ: 90°
• Cell volume: 2248.5 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No