Information card for entry 7125987

Structure parameters

• Formula: C20 H23 N3 Se
• Calculated formula: C20 H23 N3 Se
• SMILES: c1c(c2ccccc2)nn(C[C@@H](C(C)(C)C)[Se]c2ccccc2)n1
• Title of publication: Diamine-mediated N²-selective β-selenoalkylation of triazoles with alkenes.
• Authors of publication: Zhu, Li-Li; Tian, Lifang; Cai, Bin; Liu, Guanglu; Zhang, Hui; Wang, Yahui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 20
• Pages of publication: 2979 - 2982
• a: 11.6605 ± 0.0012 Å
• b: 5.8592 ± 0.0007 Å
• c: 13.2196 ± 0.0013 Å
• α: 90°
• β: 92.925 ± 0.006°
• γ: 90°
• Cell volume: 902 ± 0.17 ų
• Cell temperature: 152 ± 2 K
• Ambient diffraction temperature: 151.67 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No