Information card for entry 7059242

Structure parameters

• Formula: C19 H17 N5
• Calculated formula: C19 H17 N5
• Title of publication: Pteridine derivatives: novel low-molecular-weight organogelators and their piezofluorochromism
• Authors of publication: Xu, Shenzheng; Jia, Xiaoyu; Lu, Jiaxin; Zheng, Lianyou; Lv, Kuo; Shu, Yuanhong; Sun, Jingbo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3382 - 3391
• a: 10.3699 ± 0.0011 Å
• b: 11.8276 ± 0.0013 Å
• c: 12.9546 ± 0.0013 Å
• α: 90°
• β: 103.536 ± 0.004°
• γ: 90°
• Cell volume: 1544.8 ± 0.3 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 3
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.109
• 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