Information card for entry 7235325

Structure parameters

• Common name: CYH-3a0
• Formula: C20 H15 N3 O
• Calculated formula: C20 H15 N3 O
• Title of publication: Copper(ii)-catalyzed cascade approach for the synthesis of pyrrolo[2,1-f][1,2,4]triazine-fused isoquinolines
• Authors of publication: Chen, Jianyang; Liu, Bo; Chen, Yanhong; He, Qian; Yang, Chunhao
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 22
• Pages of publication: 11168
• a: 9.1284 ± 0.0006 Å
• b: 8.5176 ± 0.0006 Å
• c: 20.2454 ± 0.0014 Å
• α: 90°
• β: 97.403 ± 0.005°
• γ: 90°
• Cell volume: 1561 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1119
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No