Information card for entry 1575170

Structure parameters

• Formula: C13 H13 N5
• Calculated formula: C13 H13 N5
• Title of publication: Visible-light-responsive indoleazopyrazole photoswitches: dual enhancement of redshift and half-life by ester modification at the <i>ortho</i> position.
• Authors of publication: Yu, Xuanchi; Zhang, Chenyu; Dong, Dongfang; Liu, Bing; Wang, Dali; Li, Tao
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15620 - 15627
• a: 7.0795 ± 0.0001 Å
• b: 13.8474 ± 0.0003 Å
• c: 12.6001 ± 0.0003 Å
• α: 90°
• β: 101.205 ± 0.002°
• γ: 90°
• Cell volume: 1211.68 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No