Information card for entry 4021111

Structure parameters

• Formula: C21 H23 Br2 N O2
• Calculated formula: C21 H23 Br2 N O2
• SMILES: Br[C@H]1CC[C@@H](N[C@@H](c2ccccc2)C(=O)OC)[C@@H]([C@@H]1Br)c1ccccc1.Br[C@@H]1CC[C@H](N[C@H](c2ccccc2)C(=O)OC)[C@H]([C@H]1Br)c1ccccc1
• Title of publication: Asymmetric Synthesis of C-Aliphatic Homoallylic Amines and Biologically Important Cyclohexenylamine Analogues
• Authors of publication: Chi-Lik Ken Lee; Hui Yvonne Ling; Teck-Peng Loh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7787 - 7789
• a: 9.669 ± 0.005 Å
• b: 10.054 ± 0.005 Å
• c: 11.307 ± 0.006 Å
• α: 94.398 ± 0.01°
• β: 97.815 ± 0.01°
• γ: 110.743 ± 0.009°
• Cell volume: 1009 ± 0.9 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No