Information card for entry 4020174

Structure parameters

• Formula: C15 H18 Br N O3
• Calculated formula: C15 H18 Br N O3
• SMILES: Brc1ccc([C@@H]2[C@H]([C@H]([C@H]3[C@H]2CCCC3)O)N(=O)=O)cc1
• Authors of publication: Dwight D. Kim; Suk Joong Lee; Peter Beak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5376 - 5386
• a: 7.623 ± 0.003 Å
• b: 6.294 ± 0.003 Å
• c: 15.896 ± 0.006 Å
• α: 90°
• β: 100.643 ± 0.007°
• γ: 90°
• Cell volume: 749.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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