Information card for entry 7242738

Structure parameters

• Formula: C28 H23 Br N2 O
• Calculated formula: C28 H23 Br N2 O
• Title of publication: Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones
• Authors of publication: Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 27
• Pages of publication: 16236 - 16245
• a: 8.8147 ± 0.0002 Å
• b: 9.9723 ± 0.0002 Å
• c: 14.514 ± 0.0004 Å
• α: 71.84 ± 0.002°
• β: 74.029 ± 0.002°
• γ: 82.625 ± 0.002°
• Cell volume: 1164.21 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No