Information card for entry 1569581

Structure parameters

• Formula: C23 H19 Br N2 O2
• Calculated formula: C23 H19 Br N2 O2
• SMILES: Brc1ccc([C@H]2N(C(=O)N(Cc3ccccc3)C2=O)Cc2ccccc2)cc1
• 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: 12.5962 ± 0.0006 Å
• b: 5.2216 ± 0.0002 Å
• c: 15.4025 ± 0.0006 Å
• α: 90°
• β: 109.764 ± 0.005°
• γ: 90°
• Cell volume: 953.38 ± 0.08 ų
• Cell temperature: 120 ± 0.2 K
• Ambient diffraction temperature: 120 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No