Information card for entry 7157867

Structure parameters

• Formula: C15 H14 N2 O2 Se
• Calculated formula: C15 H14 N2 O2 Se
• SMILES: [Se]1N(C(=O)c2c1c(NC)ccc2)c1ccc(OC)cc1
• Title of publication: Catalytic and highly regenerable aminic organoselenium antioxidants with cytoprotective effects.
• Authors of publication: Kumar, Manish; Chhillar, Babli; Yadav, Manisha; Sagar, Poonam; Singhal, Nitin K.; Gates, Paul J.; Butcher, Ray J.; Singh, Vijay P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2015 - 2022
• a: 9.0455 ± 0.0005 Å
• b: 12.1947 ± 0.0006 Å
• c: 13.2917 ± 0.0007 Å
• α: 101.367 ± 0.004°
• β: 90.571 ± 0.004°
• γ: 109.919 ± 0.005°
• Cell volume: 1346.68 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1014
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No