Information card for entry 4514916

Structure parameters

• Formula: C26 H24 N2 O3 Se
• Calculated formula: C26 H24 N2 O3 Se
• SMILES: [Se](C1=N/C(=C\c2ccc(cc2)OCC)C(=O)N1c1ccccc1OC)c1ccc(cc1)C
• Title of publication: Copper-Promoted C-Se Cross-Coupling of 2-Selenohydantoins with Arylboronic Acids in an Open Flask.
• Authors of publication: Vyhivskyi, Oleksandr; Dlin, Egor A.; Finko, Alexander V.; Stepanova, Saiyyna P.; Ivanenkov, Yan A.; Skvortsov, Dmitry A.; Mironov, Andrei V.; Zyk, Nikolay V.; Majouga, Alexander G.; Beloglazkina, Elena K.
• Journal of publication: ACS combinatorial science
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 456 - 464
• a: 7.6852 ± 0.0002 Å
• b: 10.0944 ± 0.0002 Å
• c: 15.8894 ± 0.0003 Å
• α: 102.737 ± 0.002°
• β: 102.286 ± 0.002°
• γ: 100.664 ± 0.004°
• Cell volume: 1139.46 ± 0.05 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.041
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No