Information card for entry 7152652

Structure parameters

• Formula: C28 H24 N2 O2 Se
• Calculated formula: C28 H24 N2 O2 Se
• SMILES: O=C(c1c([Se]c2ccccc2C(=O)Nc2ccc(C)cc2)cccc1)Nc1ccc(C)cc1
• 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: 27.425 ± 0.006 Å
• b: 5.1133 ± 0.0009 Å
• c: 17.468 ± 0.004 Å
• α: 90°
• β: 109.987 ± 0.013°
• γ: 90°
• Cell volume: 2302 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1427
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No