Information card for entry 7100364

Structure parameters

• Formula: C21 H23 Br N2 O2
• Calculated formula: C21 H23 Br N2 O2
• SMILES: Br[C@H](C(=O)N1C(=O)N([C@H]([C@H]1c1ccccc1)C)C)CCc1ccccc1
• Title of publication: Controlling diastereoselectivity in the reactions of enantiomerically pure a-bromoacyl-imidazolidinones with nitrogen nucleophiles. Substitution reactions with retention or inversion of configuration.
• Authors of publication: S. Caddick; D. Pardoe; N.R. Treweeke
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.3839 ± 0.0012 Å
• b: 6.2094 ± 0.0004 Å
• c: 15.9554 ± 0.0018 Å
• α: 90°
• β: 108.513 ± 0.004°
• γ: 90°
• Cell volume: 975.53 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No