Information card for entry 7152653

Structure parameters

• Formula: C28 H N2 O4 Se
• Calculated formula: C28 H21.5 N2 O4 Se
• SMILES: [Se](c1c(cccc1)C(=O)Nc1cc(ccc1)OC)c1ccccc1C(=O)Nc1cccc(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: 10.1344 ± 0.0003 Å
• b: 10.3521 ± 0.0003 Å
• c: 12.1801 ± 0.0004 Å
• α: 82.512 ± 0.002°
• β: 78.896 ± 0.002°
• γ: 79.956 ± 0.002°
• Cell volume: 1228.5 ± 0.07 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: 0.0761
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No