Information card for entry 7152651

Structure parameters

• Formula: C27 H16 Br2 N2 O6 Se
• Calculated formula: C27 H16 Br2 N2 O6 Se
• SMILES: c12ccccc1C(=O)N(c1ccc(Br)cc1)[Se]12c2ccccc2C(=O)N1c1ccc(Br)cc1.ClCCl
• 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: 21.023 ± 0.002 Å
• b: 13.153 ± 0.002 Å
• c: 11.8836 ± 0.0018 Å
• α: 90°
• β: 121.836 ± 0.007°
• γ: 90°
• Cell volume: 2791.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No