Information card for entry 1569582

Structure parameters

• Formula: C23 H20 N2 O2
• Calculated formula: C23 H20 N2 O2
• Title of publication: Enantioselective synthesis of hydantoins by chiral acid-catalysed condensation of glyoxals and ureas
• Authors of publication: Aryal, Sushant; Hone, Christopher A.; Polson, Matthew I. J.; Foley, Daniel J.
• Journal of publication: Chemical Science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 29
• Pages of publication: 7905 - 7912
• a: 12.0926 ± 0.0002 Å
• b: 5.4361 ± 0.0002 Å
• c: 13.6728 ± 0.0003 Å
• α: 90°
• β: 95.641 ± 0.002°
• γ: 90°
• Cell volume: 894.45 ± 0.04 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No