Information card for entry 7152650

Structure parameters

• Formula: C28 H24 N2 O4 Se
• Calculated formula: C28 H23.5 N2 O4 Se
• SMILES: [Se]12(N(C(c3ccccc23)=O)c2cccc(OC)c2)N(C(=O)c2c1cccc2)c1cccc(OC)c1
• Title of publication: Spirodiazaselenuranes: synthesis, structure and antioxidant activity.
• Authors of publication: Lamani, Devappa S.; Bhowmick, Debasish; Mugesh, Govindasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 7933 - 7943
• a: 10.659 ± 0.0014 Å
• b: 11.1175 ± 0.0008 Å
• c: 11.4796 ± 0.0008 Å
• α: 115.03 ± 0.003°
• β: 100.751 ± 0.004°
• γ: 101.47 ± 0.004°
• Cell volume: 1150.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No