Information card for entry 7058674

Structure parameters

• Formula: C16 H10 O2 Se
• Calculated formula: C16 H10 O2 Se
• Title of publication: Copper complexes and carbon nanotube‒copper ferrite-catalyzed benzenoid A-ring selenation of quinones: an efficient method for the synthesis of trypanocidal agents
• Authors of publication: Jardim, Guilherme A. M.; Bozzi, Ícaro A. O.; Oliveira, Willian X. C.; Mesquita-Rodrigues, Camila; Menna-Barreto, Rubem F. S.; Kumar, Ramar A.; Gravel, Edmond; Doris, Eric; Braga, Antonio L.; da Silva Júnior, Eufrânio N.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13751
• a: 8.3211 ± 0.0006 Å
• b: 22.004 ± 0.0012 Å
• c: 6.9051 ± 0.0005 Å
• α: 90°
• β: 98.333 ± 0.007°
• γ: 90°
• Cell volume: 1250.96 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No