Information card for entry 1542382

Structure parameters

• Formula: C31 H27 N O3 Se
• Calculated formula: C31 H27 N O3 Se
• SMILES: N1([C@H](c2ccccc2)[C@@H]([Se]c2ccccc2)COCc2c(cccc2)C)C(=O)c2c(C1=O)cccc2.N1([C@@H](c2ccccc2)[C@H]([Se]c2ccccc2)COCc2c(cccc2)C)C(=O)c2c(C1=O)cccc2
• Title of publication: Catalytic and Atom-Economic Intermolecular Amidoselenenylation of Alkenes.
• Authors of publication: Tang, E.; Wang, Weilin; Zhao, Yinjiao; Zhang, Meng; Dai, Xin
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 176 - 179
• a: 6.8204 ± 0.0008 Å
• b: 13.7059 ± 0.0015 Å
• c: 14.4554 ± 0.0016 Å
• α: 72.804 ± 0.001°
• β: 87.405 ± 0.001°
• γ: 88.793 ± 0.001°
• Cell volume: 1289.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No