Information card for entry 7237604

Structure parameters

• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• 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: 5.6371 ± 0.0005 Å
• b: 7.4472 ± 0.0006 Å
• c: 15.0753 ± 0.001 Å
• α: 93.055 ± 0.006°
• β: 96.81 ± 0.006°
• γ: 90.542 ± 0.007°
• Cell volume: 627.43 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No