Information card for entry 7237603

Structure parameters

• Formula: C15 H10 N4
• Calculated formula: C15 H10 N4
• Title of publication: Photoresponsive triazole-based donor‒acceptor molecules: color change and heat/air-stable diradicals
• Authors of publication: Zhang, Ning-Ning; Sa, Rong-Jian; Sun, Shan-Shan; Li, Ming-De; Wang, Ming-Sheng; Guo, Guo-Cong
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 3100
• a: 5.7067 ± 0.0003 Å
• b: 7.2919 ± 0.0003 Å
• c: 15.0345 ± 0.0009 Å
• α: 101.367 ± 0.004°
• β: 96.548 ± 0.004°
• γ: 90.231 ± 0.004°
• Cell volume: 609.13 ± 0.06 ų
• Cell temperature: 294.8 ± 0.5 K
• Ambient diffraction temperature: 294.8 ± 0.5 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: 0.0405
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No