Information card for entry 7238918

Structure parameters

• Common name: X3
• Formula: C20 H17 N5 O4
• Calculated formula: C20 H17 N5 O4
• Title of publication: Pot, atom and step economic synthesis: a diversity-oriented approach to construct 2-substituted pyrrolo[2,1-f][1,2,4]triazin-4(3H)-ones
• Authors of publication: Xiang, Haoyue; Chen, Yanhong; He, Qian; Xie, Yuyuan; Yang, Chunhao
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 5807
• a: 7.1731 ± 0.0002 Å
• b: 9.058 ± 0.0003 Å
• c: 15.2735 ± 0.0005 Å
• α: 96.965 ± 0.001°
• β: 93.337 ± 0.001°
• γ: 112.608 ± 0.001°
• Cell volume: 903.39 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No