Information card for entry 4037875

Structure parameters

• Formula: C17 H20 N2 O2 Se
• Calculated formula: C17 H20 N2 O2 Se
• SMILES: [se]1c(nc(c1c1ccccc1)C(=O)OCC)N1CCCCC1
• Title of publication: Base-promoted Multicomponent Reactions: A Synthesis of 2-Amino-1,3-Selenazole Derivatives.
• Authors of publication: Liu, Hua-Wei; Fang, Yi; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.8432 ± 0.0011 Å
• b: 7.9837 ± 0.0009 Å
• c: 18.2139 ± 0.0018 Å
• α: 90°
• β: 103.536 ± 0.01°
• γ: 90°
• Cell volume: 1674.3 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1402
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No