Information card for entry 1517906

Structure parameters

• Formula: C23 H18 N2 O Se
• Calculated formula: C23 H18 N2 O Se
• SMILES: [Se](c1c(C(=O)Nc2cccc3cccnc23)c(ccc1)C)c1ccccc1
• Title of publication: Chelate-assisted direct selenation of aryl C-h bonds with diselenides catalyzed by palladium.
• Authors of publication: Iwasaki, Masayuki; Tsuchiya, Yuta; Nakajima, Kiyohiko; Nishihara, Yasushi
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 18
• Pages of publication: 4920 - 4923
• a: 8.049 ± 0.002 Å
• b: 14.884 ± 0.005 Å
• c: 16.221 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1943.3 ± 1.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No