Information card for entry 1547310

Structure parameters

• Formula: C28 H24 N4 O5 Se
• Calculated formula: C28 H24 N4 O5 Se
• SMILES: [Se](CC(C(=N\Nc1c(N(=O)=O)cc(N(=O)=O)cc1)\c1ccccc1)c1ccc(OC)cc1)c1ccccc1
• Title of publication: Iron-Promoted Difunctionalization of Alkenes by Phenylselenylation/1,2-Aryl Migration.
• Authors of publication: Wu, Ping; Wu, Kaikai; Wang, Liandi; Yu, Zhengkun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 19
• Pages of publication: 5450 - 5453
• a: 11.1051 ± 0.0008 Å
• b: 11.6556 ± 0.0007 Å
• c: 12.5568 ± 0.0009 Å
• α: 65.997 ± 0.006°
• β: 65.067 ± 0.007°
• γ: 67.782 ± 0.006°
• Cell volume: 1303.82 ± 0.18 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: 0.0682
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No