Information card for entry 4020170

Structure parameters

• Formula: C26 H32 Br N O4
• Calculated formula: C26 H32 Br N O4
• SMILES: Brc1ccc(cc1)[C@@H]([C@@H]1CCCC/C1=C/N(c1ccc(cc1)OC)C(=O)OC(C)(C)C)O
• 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: 6.419 ± 0.0011 Å
• b: 17.531 ± 0.003 Å
• c: 22.374 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.8 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No