Information card for entry 4020172

Structure parameters

• Formula: C26 H32 Br N O3
• Calculated formula: C26 H32 Br N O3
• SMILES: Brc1ccc(cc1)C[C@H]1CCCCC\1=C/N(c1ccc(cc1)OC)C(=O)OC(C)(C)C
• 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: 15.123 ± 0.003 Å
• b: 12.592 ± 0.003 Å
• c: 25.895 ± 0.005 Å
• α: 90°
• β: 94.988 ± 0.003°
• γ: 90°
• Cell volume: 4912.4 ± 1.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No